2-(4-carbamoylanilino)cyclopentane-1-carboxylic acid

C13H16N2O3 — CID 64817627

IUPAC2-(4-carbamoylanilino)cyclopentane-1-carboxylic acid
SMILESNC(=O)c1ccc(NC2CCCC2C(=O)O)cc1
InChIInChI=1S/C13H16N2O3/c14-12(16)8-4-6-9(7-5-8)15-11-3-1-2-10(11)13(17)18/h4-7,10-11,15H,1-3H2,(H2,14,16)(H,17,18)
InChIKeyCJRFGDBBFRPPAL-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.45
Rot. Bonds4

About 2-(4-carbamoylanilino)cyclopentane-1-carboxylic acid

2-(4-carbamoylanilino)cyclopentane-1-carboxylic acid (PubChem CID 64817627) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-(4-carbamoylanilino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(4-carbamoylanilino)cyclopentane-1-carboxylic acid
PubChem CID64817627
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-(4-carbamoylanilino)cyclopentane-1-carboxylic acid
SMILESNC(=O)c1ccc(NC2CCCC2C(=O)O)cc1
InChIInChI=1S/C13H16N2O3/c14-12(16)8-4-6-9(7-5-8)15-11-3-1-2-10(11)13(17)18/h4-7,10-11,15H,1-3H2,(H2,14,16)(H,17,18)
InChIKeyCJRFGDBBFRPPAL-UHFFFAOYSA-N
XLogP1.45
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxyanilino)cyclopentane-1-carboxylic acid
CID 84724767
4-[[2-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]amino]benzamide
CID 69113364
4-(cyclopropylamino)benzamide
CID 103605968
3-[(4-carbamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63790295
2-(4-phenylanilino)cyclobutane-1-carboxylic acid
CID 103230394
4-[(3-aminocyclohexyl)amino]benzamide
CID 79458720
2-[(3-carbamoylpyrazin-2-yl)amino]cyclopentane-1-carboxylic acid
CID 64817049
2-[(3-carbamoylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64814585
2-[(3-carbamoyl-6-methyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 64817622
2-anilino-N-phenylcyclohexane-1-carboxamide
CID 12512570
4-[(2-aminocyclohexyl)amino]benzoic acid
CID 62230691
methyl 2-(4-fluoroanilino)cyclopentane-1-carboxylate
CID 71117303

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamoylanilino)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(4-carbamoylanilino)cyclopentane-1-carboxylic acid (CID 64817627) is 2-(4-carbamoylanilino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(4-carbamoylanilino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(4-carbamoylanilino)cyclopentane-1-carboxylic acid is NC(=O)c1ccc(NC2CCCC2C(=O)O)cc1.
What is the InChIKey of 2-(4-carbamoylanilino)cyclopentane-1-carboxylic acid?
The InChIKey is CJRFGDBBFRPPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c14-12(16)8-4-6-9(7-5-8)15-11-3-1-2-10(11)13(17)18/h4-7,10-11,15H,1-3H2,(H2,14,16)(H,17,18).
What are the key properties of 2-(4-carbamoylanilino)cyclopentane-1-carboxylic acid?
2-(4-carbamoylanilino)cyclopentane-1-carboxylic acid has a molecular weight of 248.28 g/mol, XLogP of 1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamoylanilino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64817627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).