4-[[benzyl(methyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid

C15H18N2O3 — CID 79216968

IUPAC4-[[benzyl(methyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid
SMILESCN(Cc1ccccc1)C(=O)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C15H18N2O3/c1-17(10-11-5-3-2-4-6-11)15(20)16-13-8-7-12(9-13)14(18)19/h2-8,12-13H,9-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyAPNCHZMMGOPEDV-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.86
Rot. Bonds4

About 4-[[benzyl(methyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid

4-[[benzyl(methyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 79216968) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-[[benzyl(methyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[[benzyl(methyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid
PubChem CID79216968
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name4-[[benzyl(methyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid
SMILESCN(Cc1ccccc1)C(=O)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C15H18N2O3/c1-17(10-11-5-3-2-4-6-11)15(20)16-13-8-7-12(9-13)14(18)19/h2-8,12-13H,9-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyAPNCHZMMGOPEDV-UHFFFAOYSA-N
XLogP1.86
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[[benzyl(methyl)carbamoyl]amino]cyclopent-2-ene-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

Frequently Asked Questions

What is the IUPAC name of 4-[[benzyl(methyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[[benzyl(methyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid (CID 79216968) is 4-[[benzyl(methyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[[benzyl(methyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[[benzyl(methyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid is CN(Cc1ccccc1)C(=O)NC1C=CC(C(=O)O)C1.
What is the InChIKey of 4-[[benzyl(methyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is APNCHZMMGOPEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-17(10-11-5-3-2-4-6-11)15(20)16-13-8-7-12(9-13)14(18)19/h2-8,12-13H,9-10H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 4-[[benzyl(methyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid?
4-[[benzyl(methyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[benzyl(methyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79216968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).