4-[(1-methylcyclohexyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid

C14H22N2O3 — CID 79215823

IUPAC4-[(1-methylcyclohexyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid
SMILESCC1(NC(=O)NC2C=CC(C(=O)O)C2)CCCCC1
InChIInChI=1S/C14H22N2O3/c1-14(7-3-2-4-8-14)16-13(19)15-11-6-5-10(9-11)12(17)18/h5-6,10-11H,2-4,7-9H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyNRBBRYWSSAQGRD-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.04
Rot. Bonds3

About 4-[(1-methylcyclohexyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid

4-[(1-methylcyclohexyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 79215823) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-[(1-methylcyclohexyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[(1-methylcyclohexyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid
PubChem CID79215823
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name4-[(1-methylcyclohexyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid
SMILESCC1(NC(=O)NC2C=CC(C(=O)O)C2)CCCCC1
InChIInChI=1S/C14H22N2O3/c1-14(7-3-2-4-8-14)16-13(19)15-11-6-5-10(9-11)12(17)18/h5-6,10-11H,2-4,7-9H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyNRBBRYWSSAQGRD-UHFFFAOYSA-N
XLogP2.04
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylcyclohexyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[(1-methylcyclohexyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid (CID 79215823) is 4-[(1-methylcyclohexyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[(1-methylcyclohexyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[(1-methylcyclohexyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid is CC1(NC(=O)NC2C=CC(C(=O)O)C2)CCCCC1.
What is the InChIKey of 4-[(1-methylcyclohexyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is NRBBRYWSSAQGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-14(7-3-2-4-8-14)16-13(19)15-11-6-5-10(9-11)12(17)18/h5-6,10-11H,2-4,7-9H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 4-[(1-methylcyclohexyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid?
4-[(1-methylcyclohexyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 266.34 g/mol, XLogP of 2.04, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylcyclohexyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79215823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).