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SDF/Mol File of Boc-glycine (C7H13NO4)

Identification of Boc-glycine Chemical Compound

2D chemical structure image of Boc-glycine
Chemical Formula C7H13NO4
Molecular Weight 175.18242 g/mol
IUPAC Name 2-{[(tert-butoxy)carbonyl]amino}acetic acid
SMILES String CC(C)(C)OC(=O)NCC(O)=O
InChI InChI=1S/C7H13NO4/c1-7(2,3)12-6(11)8-4-5(9)10/h4H2,1-3H3,(H,8,11)(H,9,10)
InChIKey VRPJIFMKZZEXLR-UHFFFAOYSA-N

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of Boc-glycine is available for download. Click the link below to start downloading.

Download structure data file (SDF/MOL File)

The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of Boc-glycine molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.

The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.

3D chemical structure image of Boc-glycine
Ball-and-stick model of Boc-glycine

chemical table area

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  • InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N

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Additional Information for Identifying Boc-glycine Molecule

  • Chemical structure of Boc-glycine

    By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of Boc-glycine is available in chemical structure page of Boc-glycine, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

  • Molecular weight of Boc-glycine

    The molecular weight of Boc-glycine is available in molecular weight page of Boc-glycine, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.

  • Chemical formula of Boc-glycine

    The chemical formula of Boc-glycine is given in chemical formula page of Boc-glycine, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

  • InChI (IUPAC International Chemical Identifier) information of Boc-glycine

    An alternative way of expressing structural information in text format is InChI. The full standard InChI of Boc-glycine is:

    InChI=1S/C7H13NO4/c1-7(2,3)12-6(11)8-4-5(9)10/h4H2,1-3H3,(H,8,11)(H,9,10)

    It can provide a standard way to encode the molecular information of Boc-glycine to facilitate the search for the compound information in databases and on the web.

    The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of Boc-glycine is:

    InChIKey=VRPJIFMKZZEXLR-UHFFFAOYSA-N

    The InChIKey may allow easier web searches for Boc-glycine, but it needs to be linked to the full InChI to get back to the original structure of the Boc-glycine since the full standard InChI cannot be reconstructed from the InChIKey.

  • Other names (synonyms) or registry numbers of Boc-glycine

    The Boc-glycine compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of Boc-glycine including the registry numbers are listed below, if available:

    • T5230779
    • C-06019
    • BBV-058378
    • F9995-1166
    • Z56974835
    • Q-200739
    • J-300132
    • I04-0138
    • N-[(1,1-DIMETHYLETHOXY)CARBONYL]-GLYCINE
    • Glycine, N-carboxy-, N-tert-butyl ester (8CI)
    • AB01314432-03
    • M03287
    • M-5929
    • N-{[(1,1-dimethylethyl)oxy]carbonyl}glycine
    • EN300-35227
    • AZ0001-0043
    • B1185
    • N-(tert-Butoxycarbonyl)glycine; Boc-glycine
    • N-tert-butyloxycarbonyl-2-aminoacetic acid
    • 2-(tert-butoxy-carbonyl-amino)acetic acid
    • [(tert-Butoxycarbonyl)amino]acetic acid #
    • N-ALPHA-(T-BUTOXYCARBONYL)GLYCINE
    • 2-(tert-butoxycarbonylamino) acetic acid
    • 2-(tert-butoxycarbonyl-amino)acetic acid
    • RTR-017249
    • CS-W008705
    • Boc-Gly-OH, >=99.0% (T)
    • N-.alpha.-tert-Butyloxycarbonylglycine
    • N-(1,1-Dimethylethoxycarbonyl)glycine
    • GLYCINE,N-TERT.BUTYLOXYCARBONYL
    • ANW-30263
    • 2-tert-butoxycarbonylaminoacetic acid
    • (tert-Butoxycarbonylamino)acetic acid
    • Glycine,1-dimethylethoxy)carbonyl]-
    • tert-butoxycarbonylamino acetic acid
    • N-(tert.-butyloxycarbonyl)-glycine
    • N-((tert-butyloxy)carbonyl)glycine
    • Tert-Butoxycarbonylaminoacetic acid
    • N-(tertiary butoxycarbonyl)glycine
    • t-butoxy carbonylamino-acetic acid
    • (T-BOC-AMINO)ACETIC ACID
    • t-butoxycarbonylamino acetic acid
    • N-(tert-butoxycarbonyl)-glycine
    • N-(tert-butoxycarbonyl) glycine
    • N-(tert-butoxy-carbonyl)glycine
    • ARONIS023302
    • t-butoxycarbonylaminoacetic acid
    • N-tert.butyloxycarbonyl glycine
    • N-tert-butyloxycarbonyl glycine
    • N-tert-butoxy carbonyl-glycine
    • N-Boc-glycine, 98% 5g
    • N-(tert.butoxycarbonyl)glycine
    • N-tertiarybutoxycarbonylglycine
    • N-tert.butyloxycarbonylglycine
    • N-tert.butoxycarbonyl-glycine
    • N-tert.-butoxycarbonylglycine
    • N-tert-butoxycarbonyl-glycine
    • N-tert-butoxycarbonyl glycine
    • N-(tertbutoxycarbonyl)glycine
    • (tert-butoxycarbonyl)-glycine
    • Glycine, N-tert-butyl ester
    • tert.-butyloxycarbonylglycine
    • tert-butyloxycarbonyl glycine
    • tert. butoxycarbonyl glycine
    • N-(t-butoxycarbonyl)glycine
    • N-tert-butoxycarbonylglycine
    • N-t-butyloxycarbonylglycine
    • tert.-butoxycarbonylglycine
    • tert-butoxycarbonyl-glycine
    • tert-butoxycarbonyl glycine
    • N-t-butoxycarbonyl-glycine
    • N-t-butoxycarbonyl glycine
    • N-tertbutoxycarbonylglycine
    • Boc-Gly-OH, 98%
    • t-Butyloxycarbonyl glycine
    • BOC-L-GLY-OH
    • t-butyloxycarbonylglycine
    • t-Butoxycarbonyl-glycine
    • t-butoxycarbonyl glycine
    • BOC-L-GLYCINE
    • BOC-GLYCINE-OH
    • BOC-GLY
    • boc-aminoxyacetic acid
    • N-(Boc)-Glycine
    • Nalpha-Boc-glycine
    • Nalpha-tert-Butyloxycarbonylglycine
    • N-t-Boc-glycine
    • N-Boc glycine
    • BOC-glycin
    • BOC glycine
    • t-Boc-glycine
    • N-Bocglycine
    • Glycine, N-((1,1-dimethylethoxy)carbonyl)-
    • 2-{(tert-butoxycarbonyl)amino}acetic acid
    • 2-[(tert-butoxycarbonyl)amino]acetic acid
    • ((tert-butoxycarbonyl)amino)acetic acid
    • n-(tert-butyloxycarbonyl)glycine
    • 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
    • 2-[(tert-butoxy)carbonylamino]acetic acid
    • N-ALPHA-T-BUTYLOXYCARBONYL-GLYCINE
    • N-((1,1-Dimethylethoxy)carbonyl)glycine
    • N.alpha.-tert-Butyloxycarbonylglycine
    • MFCD00002690
    • tert-butoxycarbonylamino-acetic acid
    • [(T-BUTOXYCARBONYL)AMINO]ACETIC ACID
    • Glycine, N-carboxy-, N-tert-butyl ester
    • N-[(1,1-Dimethylethoxy)carbonyl]glycine
    • N-alpha-t-Boc-glycine
    • N(a)-tert-Butyloxycarbonylglycine
    • N-t-Butoxycarbonylglycine
    • [(tert-Butoxycarbonyl)amino]acetic acid
    • 2-(tert-butoxycarbonylamino)acetic acid
    • N-tert-Butyloxycarbonylglycine
    • N-(Carbo-tert-butoxy)glycine
    • N-t-Butyloxycarbonyl glycine
    • Glycine, N-[(1,1-dimethylethoxy)carbonyl]-
    • tert-Butyloxycarbonylglycine
    • tert-Butoxycarbonylglycine
    • 2-((tert-butoxycarbonyl)amino)acetic acid
    • t-Butoxycarbonylglycine
    • N-Boc-L-glycine
    • N-Boc-glycine
    • N-(tert-Butoxycarbonyl)glycine
    • Boc-Gly-OH
    • 4530-20-5
    • Boc-glycine

Boc-glycine Identification Summary Frequently Asked Questions (FAQs)

What’s the Boc-glycine formula?
C7H13NO4
How many atoms and what elements are included in the Boc-glycine molecule?
25 atom(s) - 13 Hydrogen atom(s), 7 Carbon atom(s), 1 Nitrogen atom(s), and 4 Oxygen atom(s)
How many chemical bonds and what kind of bonds are in the Boc-glycine structure?
24 bond(s) - 11 non-H bond(s), 2 multiple bond(s), 4 rotatable bond(s), 2 double bond(s), 1 carboxylic acid(s) (aliphatic), 1 (thio-) carbamate(s) (aliphatic), and 1 hydroxyl group(s)
What’s the Boc-glycine’s molar mass?
175.18242 g/mol
What’s the SMILES structure of Boc-glycine?
CC(C)(C)OC(=O)NCC(O)=O
What’s the InChI code of Boc-glycine?
InChI=1S/C7H13NO4/c1-7(2,3)12-6(11)8-4-5(9)10/h4H2,1-3H3,(H,8,11)(H,9,10)
What’s the InChIKey format of Boc-glycine?
VRPJIFMKZZEXLR-UHFFFAOYSA-N

310 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).

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