4-[(3,3-dimethylcyclopentyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid

C14H22N2O3 — CID 114549159

IUPAC4-[(3,3-dimethylcyclopentyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid
SMILESCC1(C)CCC(NC(=O)NC2C=CC(C(=O)O)C2)C1
InChIInChI=1S/C14H22N2O3/c1-14(2)6-5-11(8-14)16-13(19)15-10-4-3-9(7-10)12(17)18/h3-4,9-11H,5-8H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyJVPXBQNCDAOKHS-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.89
Rot. Bonds3

About 4-[(3,3-dimethylcyclopentyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid

4-[(3,3-dimethylcyclopentyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 114549159) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-[(3,3-dimethylcyclopentyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3,3-dimethylcyclopentyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid
PubChem CID114549159
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name4-[(3,3-dimethylcyclopentyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid
SMILESCC1(C)CCC(NC(=O)NC2C=CC(C(=O)O)C2)C1
InChIInChI=1S/C14H22N2O3/c1-14(2)6-5-11(8-14)16-13(19)15-10-4-3-9(7-10)12(17)18/h3-4,9-11H,5-8H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyJVPXBQNCDAOKHS-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
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-[(3,3-dimethylcyclopentyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[(3,3-dimethylcyclopentyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid (CID 114549159) is 4-[(3,3-dimethylcyclopentyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[(3,3-dimethylcyclopentyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[(3,3-dimethylcyclopentyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid is CC1(C)CCC(NC(=O)NC2C=CC(C(=O)O)C2)C1.
What is the InChIKey of 4-[(3,3-dimethylcyclopentyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is JVPXBQNCDAOKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-14(2)6-5-11(8-14)16-13(19)15-10-4-3-9(7-10)12(17)18/h3-4,9-11H,5-8H2,1-2H3,(H,17,18)(H2,15,16,19).
What are the key properties of 4-[(3,3-dimethylcyclopentyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid?
4-[(3,3-dimethylcyclopentyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 266.34 g/mol, XLogP of 1.89, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,3-dimethylcyclopentyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 114549159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).