2-[2-(2-carbamoylpyrrolidin-1-yl)-2-oxoethyl]benzoic acid

C14H16N2O4 — CID 71692047

IUPAC2-[2-(2-carbamoylpyrrolidin-1-yl)-2-oxoethyl]benzoic acid
SMILESNC(=O)C1CCCN1C(=O)Cc1ccccc1C(=O)O
InChIInChI=1S/C14H16N2O4/c15-13(18)11-6-3-7-16(11)12(17)8-9-4-1-2-5-10(9)14(19)20/h1-2,4-5,11H,3,6-8H2,(H2,15,18)(H,19,20)
InChIKeyGNNXTEKEKHRWDT-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.40
Rot. Bonds4

About 2-[2-(2-carbamoylpyrrolidin-1-yl)-2-oxoethyl]benzoic acid

2-[2-(2-carbamoylpyrrolidin-1-yl)-2-oxoethyl]benzoic acid (PubChem CID 71692047) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-[2-(2-carbamoylpyrrolidin-1-yl)-2-oxoethyl]benzoic acid.

Molecular Properties

Compound Name2-[2-(2-carbamoylpyrrolidin-1-yl)-2-oxoethyl]benzoic acid
PubChem CID71692047
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name2-[2-(2-carbamoylpyrrolidin-1-yl)-2-oxoethyl]benzoic acid
SMILESNC(=O)C1CCCN1C(=O)Cc1ccccc1C(=O)O
InChIInChI=1S/C14H16N2O4/c15-13(18)11-6-3-7-16(11)12(17)8-9-4-1-2-5-10(9)14(19)20/h1-2,4-5,11H,3,6-8H2,(H2,15,18)(H,19,20)
InChIKeyGNNXTEKEKHRWDT-UHFFFAOYSA-N
XLogP0.40
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[2-[2-(trifluoromethyl)phenyl]acetyl]pyrrolidine-2-carboxamide
CID 124606525
2-(2-carbamoylpyrrolidine-1-carbonyl)benzoic acid
CID 43396532
1-(2-anilinoacetyl)pyrrolidine-2-carboxamide
CID 60860590
2-[2-[2-(2-acetylpyrrolidin-1-yl)-2-oxoethyl]phenyl]acetic acid
CID 22888721
1-(2-pyridazin-3-ylacetyl)pyrrolidine-2-carboxamide
CID 175878208
(2R)-1-[2-(1-ethylindol-3-yl)acetyl]pyrrolidine-2-carboxamide
CID 136582585
1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 60659210
1-[2-(4-carbamothioylphenyl)acetyl]pyrrolidine-2-carboxamide
CID 63591025
1-(2-anilinoacetyl)piperidine-2-carboxamide
CID 54940061
3-(2-carbamoylpyrrolidin-1-yl)-3-oxopropanoic acid
CID 62231270
(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide;hydrochloride
CID 175720359
2-[2-(3-methoxypiperidin-1-yl)-2-oxoethyl]benzoic acid
CID 103932666

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-carbamoylpyrrolidin-1-yl)-2-oxoethyl]benzoic acid?
The IUPAC name of 2-[2-(2-carbamoylpyrrolidin-1-yl)-2-oxoethyl]benzoic acid (CID 71692047) is 2-[2-(2-carbamoylpyrrolidin-1-yl)-2-oxoethyl]benzoic acid.
What is the SMILES notation for 2-[2-(2-carbamoylpyrrolidin-1-yl)-2-oxoethyl]benzoic acid?
The canonical SMILES for 2-[2-(2-carbamoylpyrrolidin-1-yl)-2-oxoethyl]benzoic acid is NC(=O)C1CCCN1C(=O)Cc1ccccc1C(=O)O.
What is the InChIKey of 2-[2-(2-carbamoylpyrrolidin-1-yl)-2-oxoethyl]benzoic acid?
The InChIKey is GNNXTEKEKHRWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c15-13(18)11-6-3-7-16(11)12(17)8-9-4-1-2-5-10(9)14(19)20/h1-2,4-5,11H,3,6-8H2,(H2,15,18)(H,19,20).
What are the key properties of 2-[2-(2-carbamoylpyrrolidin-1-yl)-2-oxoethyl]benzoic acid?
2-[2-(2-carbamoylpyrrolidin-1-yl)-2-oxoethyl]benzoic acid has a molecular weight of 276.29 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-carbamoylpyrrolidin-1-yl)-2-oxoethyl]benzoic acid is sourced from PubChem (CID 71692047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).