SDF/Mol File of Boc-glycine (C7H13NO4)
Identification of Boc-glycine Chemical Compound
Chemical Formula | C7H13NO4 |
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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.
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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Boc-glycine Molecule
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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.
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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.
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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.
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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.
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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? |
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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 |
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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).