CHEMBL308497
4-[2,2-bis(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-(diaminomethylideneamino)benzoic acid
Molecular Identity
CHEMBL308497
4-[2,2-bis(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-(diaminomethylideneamino)benzoic acid
PubChem CID: 444507
2D Structure
Properties
C14H18N4O5
Molecular Formula
322.32
Molecular Weight
g/mol
322.1277
Exact Mass
Da
-2.1
XLogP
Drug-like (Lipinski: < 5)
162
TPSA
May have limited oral absorption
5
H-Bond Donors
6
H-Bond Acceptors
501
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(13)
CHEMBL3084971-(4-CARBOXY-2-GUANIDINOPENTYL)-5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-2-ONE4-(2,2-Bis-hydroxymethyl-5-oxo-pyrrolidin-1-yl)-3-guanidino-benzoic acid4-[2,2-bis(hydroxymethyl)-5-oxo-pyrrolidin-1-yl]-3-guanidino-benzoic acid1b9tRAISCHEMBL7230762BDBM500783304-[2,2-bis(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-carbamimidamidobenzoic acidQ274648791-(4-CARBOXY-2-GUANIDINOPENTYL)-5,5''-DI(HYDROXYMETHYL)PYRROLIDIN-2-ONE3-(2,2-diaminoimino)-4-[2,2-di(hydroxymethyl)-5-oxotetrahydro-1H-1-pyrrolyl]benzoateBenzoic acid, 3-[(aminoiminomethyl)amino]-4-[2,2-bis(hydroxymethyl)-5-oxo-1-pyrrolidinyl]-
Data from PubChem (NCBI)
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