2-(4-amino-2-oxopyrrolidin-1-yl)-3-methoxybenzoic acid

C12H14N2O4 — CID 168699622

IUPAC2-(4-amino-2-oxopyrrolidin-1-yl)-3-methoxybenzoic acid
SMILESCOc1cccc(C(=O)O)c1N1CC(N)CC1=O
InChIInChI=1S/C12H14N2O4/c1-18-9-4-2-3-8(12(16)17)11(9)14-6-7(13)5-10(14)15/h2-4,7H,5-6,13H2,1H3,(H,16,17)
InChIKeyBAOCAQUKTDLDKR-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.46
Rot. Bonds3

About 2-(4-amino-2-oxopyrrolidin-1-yl)-3-methoxybenzoic acid

2-(4-amino-2-oxopyrrolidin-1-yl)-3-methoxybenzoic acid (PubChem CID 168699622) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 2-(4-amino-2-oxopyrrolidin-1-yl)-3-methoxybenzoic acid.

Molecular Properties

Compound Name2-(4-amino-2-oxopyrrolidin-1-yl)-3-methoxybenzoic acid
PubChem CID168699622
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name2-(4-amino-2-oxopyrrolidin-1-yl)-3-methoxybenzoic acid
SMILESCOc1cccc(C(=O)O)c1N1CC(N)CC1=O
InChIInChI=1S/C12H14N2O4/c1-18-9-4-2-3-8(12(16)17)11(9)14-6-7(13)5-10(14)15/h2-4,7H,5-6,13H2,1H3,(H,16,17)
InChIKeyBAOCAQUKTDLDKR-UHFFFAOYSA-N
XLogP0.46
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-amino-2-oxopyrrolidin-1-yl)-3-methoxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-amino-2-oxopyrrolidin-1-yl)benzene-1,3-dicarboxylic acid
CID 168700387
4-amino-1-(2-fluoro-3-methoxyphenyl)pyrrolidin-2-one
CID 83807533
1-(2-fluoro-6-methoxyphenyl)-4-hydroxypyrrolidin-2-one
CID 168702370
3-hydroxy-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid
CID 168703238
methyl 1-(2-fluoro-6-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 168693531
2-[4-(acetylsulfanylmethyl)-2-oxopyrrolidin-1-yl]benzene-1,3-dicarboxylic acid
CID 168667919
4-(aminomethyl)-1-(2-chloro-6-methoxyphenyl)pyrrolidin-2-one
CID 168659664
3-hydroxy-2-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzoic acid
CID 168709745
3-chloro-2-(4-chloro-2-oxopyrrolidin-1-yl)benzoic acid
CID 168688895
3-bromo-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid
CID 168703162
1-(2-carboxy-6-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691543
3-(4-amino-2-oxopyrrolidin-1-yl)-4-methoxycarbonylbenzoic acid
CID 168699449

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-oxopyrrolidin-1-yl)-3-methoxybenzoic acid?
The IUPAC name of 2-(4-amino-2-oxopyrrolidin-1-yl)-3-methoxybenzoic acid (CID 168699622) is 2-(4-amino-2-oxopyrrolidin-1-yl)-3-methoxybenzoic acid.
What is the SMILES notation for 2-(4-amino-2-oxopyrrolidin-1-yl)-3-methoxybenzoic acid?
The canonical SMILES for 2-(4-amino-2-oxopyrrolidin-1-yl)-3-methoxybenzoic acid is COc1cccc(C(=O)O)c1N1CC(N)CC1=O.
What is the InChIKey of 2-(4-amino-2-oxopyrrolidin-1-yl)-3-methoxybenzoic acid?
The InChIKey is BAOCAQUKTDLDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-18-9-4-2-3-8(12(16)17)11(9)14-6-7(13)5-10(14)15/h2-4,7H,5-6,13H2,1H3,(H,16,17).
What are the key properties of 2-(4-amino-2-oxopyrrolidin-1-yl)-3-methoxybenzoic acid?
2-(4-amino-2-oxopyrrolidin-1-yl)-3-methoxybenzoic acid has a molecular weight of 250.25 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-oxopyrrolidin-1-yl)-3-methoxybenzoic acid is sourced from PubChem (CID 168699622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).