VZY
N-(3-methylbenzene-1-carbonyl)glycine
Created: | 2020-09-24 |
Last modified: | 2021-01-13 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 25 |
Chiral Atom Count | 0 |
Bond Count | 25 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | N-(3-methylbenzene-1-carbonyl)glycine |
Systematic Name (OpenEye OEToolkits) | 2-[(3-methylphenyl)carbonylamino]ethanoic acid |
Formula | C10 H11 N O3 |
Molecular Weight | 193.199 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1c(cc(cc1)C)C(NCC(O)=O)=O |
SMILES | CACTVS | 3.385 | Cc1cccc(c1)C(=O)NCC(O)=O |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cccc(c1)C(=O)NCC(=O)O |
Canonical SMILES | CACTVS | 3.385 | Cc1cccc(c1)C(=O)NCC(O)=O |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cccc(c1)C(=O)NCC(=O)O |
InChI | InChI | 1.03 | InChI=1S/C10H11NO3/c1-7-3-2-4-8(5-7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13) |
InChIKey | InChI | 1.03 | YKAKNMHEIJUKEX-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 99223 |
ChEMBL | CHEMBL456202 |
ChEBI | CHEBI:68500 |