4-[[(3-fluorophenyl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid

C14H15FN2O3 — CID 79216576

IUPAC4-[[(3-fluorophenyl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid
SMILESCN(C(=O)NC1C=CC(C(=O)O)C1)c1cccc(F)c1
InChIInChI=1S/C14H15FN2O3/c1-17(12-4-2-3-10(15)8-12)14(20)16-11-6-5-9(7-11)13(18)19/h2-6,8-9,11H,7H2,1H3,(H,16,20)(H,18,19)
InChIKeyNKYBCKVFCVNEQK-UHFFFAOYSA-N
MW278.28 g/mol
LogP2.00
Rot. Bonds3

About 4-[[(3-fluorophenyl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid

4-[[(3-fluorophenyl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 79216576) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is 4-[[(3-fluorophenyl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(3-fluorophenyl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid
PubChem CID79216576
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Name4-[[(3-fluorophenyl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid
SMILESCN(C(=O)NC1C=CC(C(=O)O)C1)c1cccc(F)c1
InChIInChI=1S/C14H15FN2O3/c1-17(12-4-2-3-10(15)8-12)14(20)16-11-6-5-9(7-11)13(18)19/h2-6,8-9,11H,7H2,1H3,(H,16,20)(H,18,19)
InChIKeyNKYBCKVFCVNEQK-UHFFFAOYSA-N
XLogP2.00
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[[(3-fluorophenyl)-methylcarbamoyl]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

Related Compounds

4-[[(2-fluorophenyl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 79216504
4-[(3-fluorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79209105
4-[[(4-methoxyphenyl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 79191333
(1S,6R)-6-[(3-fluorophenyl)-methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104962361
3-[(3-fluorophenyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103550637
3-[(3-fluorophenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783681
4-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 79215965
4-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 79216332
1-[(3-fluorophenyl)-methylcarbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 106744236
4-[[methyl(pentan-3-yl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 79216040
4-amino-N-ethyl-N-(3-fluorophenyl)cyclopent-2-ene-1-carboxamide
CID 79207504
1-[(3-fluorophenyl)-methylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782431

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-fluorophenyl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[[(3-fluorophenyl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid (CID 79216576) is 4-[[(3-fluorophenyl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[[(3-fluorophenyl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[[(3-fluorophenyl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid is CN(C(=O)NC1C=CC(C(=O)O)C1)c1cccc(F)c1.
What is the InChIKey of 4-[[(3-fluorophenyl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is NKYBCKVFCVNEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c1-17(12-4-2-3-10(15)8-12)14(20)16-11-6-5-9(7-11)13(18)19/h2-6,8-9,11H,7H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 4-[[(3-fluorophenyl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid?
4-[[(3-fluorophenyl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 278.28 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-fluorophenyl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79216576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).