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Formula 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

Chemical Formula Description

The Boc-glycine molecule contains a total of 25 atom(s). There are 13 Hydrogen atom(s), 7 Carbon atom(s), 1 Nitrogen atom(s), and 4 Oxygen atom(s). A chemical formula of Boc-glycine can therefore be written as:

C7H13NO4

The chemical formula of Boc-glycine shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.

The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.

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

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Additional Information for Identifying Boc-glycine Molecule

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

    The molecular chemical formulas lack structural information. An alternative textual expression including the structural information 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 have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of Boc-glycine including the registry numbers is given 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 chemical formula of Boc-glycine?
C7H13NO4
How many atoms and what are they in the Boc-glycine structure?
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 are they 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 molecular weight of Boc-glycine?
175.18242 g/mol
What’s the SMILES string of Boc-glycine?
CC(C)(C)OC(=O)NCC(O)=O
What’s the InChI 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 of Boc-glycine?
VRPJIFMKZZEXLR-UHFFFAOYSA-N

1030 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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