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

C14H16N2O4 — CID 103549960

IUPAC3-[(3-carbamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESNC(=O)c1cccc(NC(=O)C2CCC(C(=O)O)C2)c1
InChIInChI=1S/C14H16N2O4/c15-12(17)8-2-1-3-11(7-8)16-13(18)9-4-5-10(6-9)14(19)20/h1-3,7,9-10H,4-6H2,(H2,15,17)(H,16,18)(H,19,20)
InChIKeyNESCDFRZOSHICX-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.22
Rot. Bonds4

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

3-[(3-carbamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103549960) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 3-[(3-carbamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(3-carbamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103549960
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name3-[(3-carbamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESNC(=O)c1cccc(NC(=O)C2CCC(C(=O)O)C2)c1
InChIInChI=1S/C14H16N2O4/c15-12(17)8-2-1-3-11(7-8)16-13(18)9-4-5-10(6-9)14(19)20/h1-3,7,9-10H,4-6H2,(H2,15,17)(H,16,18)(H,19,20)
InChIKeyNESCDFRZOSHICX-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-[[3-(methylcarbamoyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103549959
cis-(1R,3S)-3-[(3-carbamoylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106320365
3-[(3-chlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103549836
2-[(3-carbamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103977967
N-(3-carbamoylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119270283
3-[(4-carbamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63790295
3-[[3-(cyclohexanecarbonylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120551532
3-[(5-carbamoyl-2-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550192
3-[[3-(difluoromethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103550191
cis-(1R,3S)-3-[(3-carbamoylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320083
cis-(1S,3R)-3-[[3-(1-aminocyclopropyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 166287363
N-[4-(carbamoylamino)phenyl]-3-(cyclopropanecarbonylamino)benzamide
CID 33151643

Frequently Asked Questions

What is the IUPAC name of 3-[(3-carbamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(3-carbamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 103549960) is 3-[(3-carbamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(3-carbamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(3-carbamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid is NC(=O)c1cccc(NC(=O)C2CCC(C(=O)O)C2)c1.
What is the InChIKey of 3-[(3-carbamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is NESCDFRZOSHICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c15-12(17)8-2-1-3-11(7-8)16-13(18)9-4-5-10(6-9)14(19)20/h1-3,7,9-10H,4-6H2,(H2,15,17)(H,16,18)(H,19,20).
What are the key properties of 3-[(3-carbamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid?
3-[(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 3-[(3-carbamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103549960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).