4-(cyclohexylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid

C13H20N2O3 — CID 79216512

IUPAC4-(cyclohexylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
SMILESO=C(NC1C=CC(C(=O)O)C1)NC1CCCCC1
InChIInChI=1S/C13H20N2O3/c16-12(17)9-6-7-11(8-9)15-13(18)14-10-4-2-1-3-5-10/h6-7,9-11H,1-5,8H2,(H,16,17)(H2,14,15,18)
InChIKeyFEBOUSRKVJCNRO-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.65
Rot. Bonds3

About 4-(cyclohexylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid

4-(cyclohexylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid (PubChem CID 79216512) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 4-(cyclohexylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-(cyclohexylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
PubChem CID79216512
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name4-(cyclohexylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
SMILESO=C(NC1C=CC(C(=O)O)C1)NC1CCCCC1
InChIInChI=1S/C13H20N2O3/c16-12(17)9-6-7-11(8-9)15-13(18)14-10-4-2-1-3-5-10/h6-7,9-11H,1-5,8H2,(H,16,17)(H2,14,15,18)
InChIKeyFEBOUSRKVJCNRO-UHFFFAOYSA-N
XLogP1.65
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(cyclopentylamino)cyclopent-2-ene-1-carboxylic acid
CID 82934042
4-(cyclooctanecarbonylamino)cyclopent-2-ene-1-carboxylic acid
CID 79209356
4-[(3,3-dimethylcyclopentyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 114549159
4-(piperidin-1-ylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 83020303
4-[(2-cyclohexylacetyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79208872
4-(2-cyclopentylethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216844
4-[(3-ethoxycyclobutyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 114120236
4-[(1-methylcyclohexyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79215823
4-(ethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216361
1-cyclobutyl-3-cyclohexylurea
CID 17217147
4-(3-cyclopentylpropanoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79209129
3-(cycloheptylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 63043004

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-(cyclohexylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid (CID 79216512) is 4-(cyclohexylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-(cyclohexylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-(cyclohexylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid is O=C(NC1C=CC(C(=O)O)C1)NC1CCCCC1.
What is the InChIKey of 4-(cyclohexylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid?
The InChIKey is FEBOUSRKVJCNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c16-12(17)9-6-7-11(8-9)15-13(18)14-10-4-2-1-3-5-10/h6-7,9-11H,1-5,8H2,(H,16,17)(H2,14,15,18).
What are the key properties of 4-(cyclohexylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid?
4-(cyclohexylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid has a molecular weight of 252.31 g/mol, XLogP of 1.65, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79216512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).