1-(6-carboxy-2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid

C14H15NO5 — CID 168691023

IUPAC1-(6-carboxy-2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(N2CC(C(=O)O)CC2=O)c1C
InChIInChI=1S/C14H15NO5/c1-7-3-4-10(14(19)20)12(8(7)2)15-6-9(13(17)18)5-11(15)16/h3-4,9H,5-6H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyUULGTROKQUKEEZ-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.44
Rot. Bonds3

About 1-(6-carboxy-2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid

1-(6-carboxy-2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 168691023) has the molecular formula C14H15NO5 and a molecular weight of 277.28 g/mol. Its IUPAC name is 1-(6-carboxy-2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(6-carboxy-2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID168691023
Molecular FormulaC14H15NO5
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC Name1-(6-carboxy-2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(N2CC(C(=O)O)CC2=O)c1C
InChIInChI=1S/C14H15NO5/c1-7-3-4-10(14(19)20)12(8(7)2)15-6-9(13(17)18)5-11(15)16/h3-4,9H,5-6H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyUULGTROKQUKEEZ-UHFFFAOYSA-N
XLogP1.44
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(6-carboxy-2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic 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

1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 4739040
1-(2-carboxy-4,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691050
1-(2-carboxy-6-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691543
(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 673097
1-(4-carboxy-3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 50873913
(3S)-1-(4-carboxy-3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 94076115
(3S)-1-(3-amino-4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 94076155
(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 778085
(3S)-1-(4-carboxy-2-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 94076055
(3R)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 7378747
1-(2-methyl-5-methylsulfonylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691075
1-(6-bromo-3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691028

Frequently Asked Questions

What is the IUPAC name of 1-(6-carboxy-2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(6-carboxy-2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid (CID 168691023) is 1-(6-carboxy-2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(6-carboxy-2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(6-carboxy-2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid is Cc1ccc(C(=O)O)c(N2CC(C(=O)O)CC2=O)c1C.
What is the InChIKey of 1-(6-carboxy-2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is UULGTROKQUKEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5/c1-7-3-4-10(14(19)20)12(8(7)2)15-6-9(13(17)18)5-11(15)16/h3-4,9H,5-6H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 1-(6-carboxy-2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid?
1-(6-carboxy-2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 277.28 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-carboxy-2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 168691023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).