3-chloro-5-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid

C12H11ClN2O4 — CID 83192367

IUPAC3-chloro-5-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid
SMILESO=C1CC(C(=O)Nc2cc(Cl)cc(C(=O)O)c2)CN1
InChIInChI=1S/C12H11ClN2O4/c13-8-1-6(12(18)19)2-9(4-8)15-11(17)7-3-10(16)14-5-7/h1-2,4,7H,3,5H2,(H,14,16)(H,15,17)(H,18,19)
InChIKeyREGHJNACXGQAEF-UHFFFAOYSA-N
MW282.68 g/mol
LogP1.11
Rot. Bonds3

About 3-chloro-5-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid

3-chloro-5-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid (PubChem CID 83192367) has the molecular formula C12H11ClN2O4 and a molecular weight of 282.68 g/mol. Its IUPAC name is 3-chloro-5-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name3-chloro-5-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid
PubChem CID83192367
Molecular FormulaC12H11ClN2O4
Molecular Weight282.68 g/mol
Exact Mass282.04
IUPAC Name3-chloro-5-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid
SMILESO=C1CC(C(=O)Nc2cc(Cl)cc(C(=O)O)c2)CN1
InChIInChI=1S/C12H11ClN2O4/c13-8-1-6(12(18)19)2-9(4-8)15-11(17)7-3-10(16)14-5-7/h1-2,4,7H,3,5H2,(H,14,16)(H,15,17)(H,18,19)
InChIKeyREGHJNACXGQAEF-UHFFFAOYSA-N
XLogP1.11
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.68
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid
CID 82889171
5-oxo-N-(2,4,6-trichlorophenyl)pyrrolidine-3-carboxamide
CID 83192640
N-[3-chloro-5-(trifluoromethyl)phenyl]-6-oxopiperidine-3-carboxamide
CID 116700756
3-chloro-5-(oxolane-3-carbonylamino)benzoic acid
CID 81361980
N-[4-(cyclopropanecarbonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982525
2-hydroxy-5-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid
CID 83192489
5-oxo-N-(2,4,5-trichlorophenyl)pyrrolidine-3-carboxamide
CID 78981558
5-oxo-N-(3-phenylphenyl)pyrrolidine-3-carboxamide
CID 136542533
N-(3-bromo-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 104938731
3-chloro-5-[[(2S)-piperidine-2-carbonyl]amino]benzoic acid
CID 104914413
N-(5-carbamoyl-2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 78954339
3-chloro-5-(thiomorpholine-3-carbonylamino)benzoic acid
CID 82917929

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid?
The IUPAC name of 3-chloro-5-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid (CID 83192367) is 3-chloro-5-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 3-chloro-5-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 3-chloro-5-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid is O=C1CC(C(=O)Nc2cc(Cl)cc(C(=O)O)c2)CN1.
What is the InChIKey of 3-chloro-5-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid?
The InChIKey is REGHJNACXGQAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O4/c13-8-1-6(12(18)19)2-9(4-8)15-11(17)7-3-10(16)14-5-7/h1-2,4,7H,3,5H2,(H,14,16)(H,15,17)(H,18,19).
What are the key properties of 3-chloro-5-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid?
3-chloro-5-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid has a molecular weight of 282.68 g/mol, XLogP of 1.11, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 83192367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).