4-Carboxyphenylglycylaminoacetonitrile
4-[[2-(cyanomethylamino)-2-oxoethyl]amino]benzoic acid
Molecular Identity
4-Carboxyphenylglycylaminoacetonitrile
4-[[2-(cyanomethylamino)-2-oxoethyl]amino]benzoic acid
PubChem CID: 161267
2D Structure
Properties
C11H11N3O3
Molecular Formula
233.22
Molecular Weight
g/mol
233.0800
Exact Mass
Da
0.6
XLogP
Drug-like (Lipinski: < 5)
102
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
5
H-Bond Acceptors
326
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(17)
4-Carboxyphenylglycylaminoacetonitrile19065-92-0H-100p-Carboxyphenylglycylaminoacetonitrile5RQ73K2EC8DTXSID30172562Benzoic acid, 4-((2-((cyanomethyl)amino)-2-oxoethyl)amino)-RefChem:912417DTXCID4095053Carboxyphenyl glycyl aminoacetonitrile4-[[2-(cyanomethylamino)-2-oxoethyl]amino]benzoic acid4-({2-[(cyanomethyl)amino]-2-oxoethyl}amino)benzoic acidN-(N-(4-Carboxyphenyl)glycyl)aminoacetonitrileUNII-5RQ73K2EC82-[[N-(p-Carboxyphenyl)glycyl]amino]acetonitrile
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 4-Carboxyphenylglycylaminoacetonitrile
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