2-[(3-carbamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid

C14H16N2O4 — CID 103977967

IUPAC2-[(3-carbamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESNC(=O)c1cccc(NC(=O)C2CCCC2C(=O)O)c1
InChIInChI=1S/C14H16N2O4/c15-12(17)8-3-1-4-9(7-8)16-13(18)10-5-2-6-11(10)14(19)20/h1,3-4,7,10-11H,2,5-6H2,(H2,15,17)(H,16,18)(H,19,20)
InChIKeyUEJDPWKDVGSSEG-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.22
Rot. Bonds4

About 2-[(3-carbamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid

2-[(3-carbamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103977967) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-[(3-carbamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-carbamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103977967
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name2-[(3-carbamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESNC(=O)c1cccc(NC(=O)C2CCCC2C(=O)O)c1
InChIInChI=1S/C14H16N2O4/c15-12(17)8-3-1-4-9(7-8)16-13(18)10-5-2-6-11(10)14(19)20/h1,3-4,7,10-11H,2,5-6H2,(H2,15,17)(H,16,18)(H,19,20)
InChIKeyUEJDPWKDVGSSEG-UHFFFAOYSA-N
XLogP1.22
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(1R,2R)-2-carboxycyclohexanecarbonyl]amino]benzoic acid
CID 761879
N-(3-carbamoylphenyl)-2-methylpiperidine-3-carboxamide
CID 107811444
3-[(3-carbamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103549960
trans-(1S,2S)-2-[(3-acetamidophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 792081
cis-(1S,2R)-2-[[3-(4-methylpiperidine-1-carbonyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 28637437
trans-(1S,2S)-2-(phenylcarbamoyl)cyclohexane-1-carboxylic acid
CID 41097609
N-(3-acetylphenyl)-2-hydroxycyclopentane-1-carboxamide
CID 110013625
cis-(1R,2S)-2-[(3-ethylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 844851
cis-(1S,2R)-2-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 42561915
2-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103978190
trans-(1R,2R)-2-[[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 1314180
trans-(1S,2S)-2-[[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 1314181

Frequently Asked Questions

What is the IUPAC name of 2-[(3-carbamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(3-carbamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 103977967) is 2-[(3-carbamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-carbamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(3-carbamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid is NC(=O)c1cccc(NC(=O)C2CCCC2C(=O)O)c1.
What is the InChIKey of 2-[(3-carbamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is UEJDPWKDVGSSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c15-12(17)8-3-1-4-9(7-8)16-13(18)10-5-2-6-11(10)14(19)20/h1,3-4,7,10-11H,2,5-6H2,(H2,15,17)(H,16,18)(H,19,20).
What are the key properties of 2-[(3-carbamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid?
2-[(3-carbamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 276.29 g/mol, XLogP of 1.22, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-carbamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103977967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).