4-[2-(2-oxopyrrolidin-1-yl)ethylcarbamoyl]benzene-1,3-dicarboxylic acid

C15H16N2O6 — CID 134109822

IUPAC4-[2-(2-oxopyrrolidin-1-yl)ethylcarbamoyl]benzene-1,3-dicarboxylic acid
SMILESO=C(O)c1ccc(C(=O)NCCN2CCCC2=O)c(C(=O)O)c1
InChIInChI=1S/C15H16N2O6/c18-12-2-1-6-17(12)7-5-16-13(19)10-4-3-9(14(20)21)8-11(10)15(22)23/h3-4,8H,1-2,5-7H2,(H,16,19)(H,20,21)(H,22,23)
InChIKeyPMSCQIOSZYIXFR-UHFFFAOYSA-N
MW320.30 g/mol
LogP0.44
Rot. Bonds6

About 4-[2-(2-oxopyrrolidin-1-yl)ethylcarbamoyl]benzene-1,3-dicarboxylic acid

4-[2-(2-oxopyrrolidin-1-yl)ethylcarbamoyl]benzene-1,3-dicarboxylic acid (PubChem CID 134109822) has the molecular formula C15H16N2O6 and a molecular weight of 320.30 g/mol. Its IUPAC name is 4-[2-(2-oxopyrrolidin-1-yl)ethylcarbamoyl]benzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name4-[2-(2-oxopyrrolidin-1-yl)ethylcarbamoyl]benzene-1,3-dicarboxylic acid
PubChem CID134109822
Molecular FormulaC15H16N2O6
Molecular Weight320.30 g/mol
Exact Mass320.10
IUPAC Name4-[2-(2-oxopyrrolidin-1-yl)ethylcarbamoyl]benzene-1,3-dicarboxylic acid
SMILESO=C(O)c1ccc(C(=O)NCCN2CCCC2=O)c(C(=O)O)c1
InChIInChI=1S/C15H16N2O6/c18-12-2-1-6-17(12)7-5-16-13(19)10-4-3-9(14(20)21)8-11(10)15(22)23/h3-4,8H,1-2,5-7H2,(H,16,19)(H,20,21)(H,22,23)
InChIKeyPMSCQIOSZYIXFR-UHFFFAOYSA-N
XLogP0.44
TPSA124.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-fluoro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]benzamide
CID 90650238
4-oxo-5-[2-(2-oxopyrrolidin-1-yl)ethylcarbamoyl]-1-propan-2-ylpyridine-3-carboxylic acid
CID 118788697
2-chloro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-(trifluoromethyl)benzamide
CID 90650316
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide
CID 4787941
4-(4-chloro-2-fluorophenyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]benzamide
CID 121497318
2-chloro-4-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 34841380
N-[2-(2-oxoazepan-1-yl)ethyl]furan-3-carboxamide
CID 39514014
3-(2-fluorophenyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]benzamide
CID 50959619
2-chloro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide
CID 166506421
2-[3-(2-oxoazepan-1-yl)propylcarbamoyl]pyridine-4-carboxylic acid
CID 122055052
3-acetamido-N-[2-(2-oxopiperidin-1-yl)ethyl]benzamide
CID 110743652
3-chloro-4-iodo-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 103734648

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-oxopyrrolidin-1-yl)ethylcarbamoyl]benzene-1,3-dicarboxylic acid?
The IUPAC name of 4-[2-(2-oxopyrrolidin-1-yl)ethylcarbamoyl]benzene-1,3-dicarboxylic acid (CID 134109822) is 4-[2-(2-oxopyrrolidin-1-yl)ethylcarbamoyl]benzene-1,3-dicarboxylic acid.
What is the SMILES notation for 4-[2-(2-oxopyrrolidin-1-yl)ethylcarbamoyl]benzene-1,3-dicarboxylic acid?
The canonical SMILES for 4-[2-(2-oxopyrrolidin-1-yl)ethylcarbamoyl]benzene-1,3-dicarboxylic acid is O=C(O)c1ccc(C(=O)NCCN2CCCC2=O)c(C(=O)O)c1.
What is the InChIKey of 4-[2-(2-oxopyrrolidin-1-yl)ethylcarbamoyl]benzene-1,3-dicarboxylic acid?
The InChIKey is PMSCQIOSZYIXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O6/c18-12-2-1-6-17(12)7-5-16-13(19)10-4-3-9(14(20)21)8-11(10)15(22)23/h3-4,8H,1-2,5-7H2,(H,16,19)(H,20,21)(H,22,23).
What are the key properties of 4-[2-(2-oxopyrrolidin-1-yl)ethylcarbamoyl]benzene-1,3-dicarboxylic acid?
4-[2-(2-oxopyrrolidin-1-yl)ethylcarbamoyl]benzene-1,3-dicarboxylic acid has a molecular weight of 320.30 g/mol, XLogP of 0.44, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-oxopyrrolidin-1-yl)ethylcarbamoyl]benzene-1,3-dicarboxylic acid is sourced from PubChem (CID 134109822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).