VZY

N-(3-methylbenzene-1-carbonyl)glycine

Created: 2020-09-24
Last modified:  2021-01-13

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Chemical Details

Formal Charge0
Atom Count25
Chiral Atom Count0
Bond Count25
Aromatic Bond Count6
2D diagram of VZY

Chemical Component Summary

NameN-(3-methylbenzene-1-carbonyl)glycine
Systematic Name (OpenEye OEToolkits)2-[(3-methylphenyl)carbonylamino]ethanoic acid
FormulaC10 H11 N O3
Molecular Weight193.199
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01c1c(cc(cc1)C)C(NCC(O)=O)=O
SMILESCACTVS3.385Cc1cccc(c1)C(=O)NCC(O)=O
SMILESOpenEye OEToolkits2.0.7Cc1cccc(c1)C(=O)NCC(=O)O
Canonical SMILESCACTVS3.385 Cc1cccc(c1)C(=O)NCC(O)=O
Canonical SMILESOpenEye OEToolkits2.0.7 Cc1cccc(c1)C(=O)NCC(=O)O
InChIInChI1.03 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)
InChIKeyInChI1.03 YKAKNMHEIJUKEX-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 99223
ChEMBL CHEMBL456202
ChEBI CHEBI:68500