C1CC(=O)N(C1)C2=CC(=CC(=C2)N)C(=O)O
CAS: 26090-62-0
Nom: 3-amino-5-(2-oxopyrrolidin-1-yl)benzoic acid
SMILES: C1CC(=O)N(C1)C2=CC(=CC(=C2)N)C(=O)O

Molecular Processing

Molecular formula
C11H12N2O3
Molecular weight
220.23
Exact mass
220.0848
XLogP
1.09
TPSA
83.63
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
59.4

Supplementary Information

InChIKey: GLKXAVDJECNNIA-UHFFFAOYSA-N
Synonymes
3-amino-5-(2-oxo-pyrrolidin-1-yl)-benzoic acid26090-62-0SCHEMBL2203949GLKXAVDJECNNIA-UHFFFAOYSA-NDB-3310673-Amino-5-(2-oxopyrrolidin-1-yl)benzoic acid3-amino-5-(2-oxopyrrolidin-1-yl)-benzoic acid
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Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→