4-[(2-phenylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid

C19H26N2O3 — CID 122001828

IUPAC4-[(2-phenylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)NC1CCCC1c1ccccc1
InChIInChI=1S/C19H26N2O3/c22-18(23)14-9-11-15(12-10-14)20-19(24)21-17-8-4-7-16(17)13-5-2-1-3-6-13/h1-3,5-6,14-17H,4,7-12H2,(H,22,23)(H2,20,21,24)
InChIKeyKDJMRQPEDHFBET-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.27
Rot. Bonds4

About 4-[(2-phenylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid

4-[(2-phenylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 122001828) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 4-[(2-phenylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-phenylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID122001828
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name4-[(2-phenylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)NC1CCCC1c1ccccc1
InChIInChI=1S/C19H26N2O3/c22-18(23)14-9-11-15(12-10-14)20-19(24)21-17-8-4-7-16(17)13-5-2-1-3-6-13/h1-3,5-6,14-17H,4,7-12H2,(H,22,23)(H2,20,21,24)
InChIKeyKDJMRQPEDHFBET-UHFFFAOYSA-N
XLogP3.27
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 4-[(2-phenylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2-phenylcyclohexyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673133
cis-(1R,3S)-3-[(2-phenylcyclopropyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106319586
1-[[(1R,2S)-2-phenylcyclopentyl]carbamoyl]piperidine-4-carboxylic acid
CID 122012024
1-[(2-phenylcyclopentyl)carbamoyl]piperidine-4-carboxylic acid
CID 122001822
N-[(1S,2S)-2-phenylcyclopentyl]cyclohexanecarboxamide
CID 67394032
1-[(2-phenylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid
CID 122001829
4-[[(1S,2R)-2-(hydroxymethyl)cyclopentyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122024567
[(2S)-2-phenylcyclohexyl]urea
CID 141176309
4-[[(2R,3S)-2-pyridin-4-yloxan-3-yl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122023891
2-amino-N-(2-phenylcyclopentyl)acetamide
CID 119323270
4-[[3-(2-chlorophenyl)cyclobutyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122015655
2-(cyclopropylmethylamino)-N-(2-phenylcyclopentyl)acetamide
CID 119783077

Frequently Asked Questions

What is the IUPAC name of 4-[(2-phenylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(2-phenylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid (CID 122001828) is 4-[(2-phenylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(2-phenylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(2-phenylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid is O=C(NC1CCC(C(=O)O)CC1)NC1CCCC1c1ccccc1.
What is the InChIKey of 4-[(2-phenylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is KDJMRQPEDHFBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c22-18(23)14-9-11-15(12-10-14)20-19(24)21-17-8-4-7-16(17)13-5-2-1-3-6-13/h1-3,5-6,14-17H,4,7-12H2,(H,22,23)(H2,20,21,24).
What are the key properties of 4-[(2-phenylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid?
4-[(2-phenylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 330.43 g/mol, XLogP of 3.27, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-phenylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122001828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).