4-[(3-fluoro-5-methylphenyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid

C14H15FN2O3 — CID 79210577

IUPAC4-[(3-fluoro-5-methylphenyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid
SMILESCc1cc(F)cc(NC(=O)NC2C=CC(C(=O)O)C2)c1
InChIInChI=1S/C14H15FN2O3/c1-8-4-10(15)7-12(5-8)17-14(20)16-11-3-2-9(6-11)13(18)19/h2-5,7,9,11H,6H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyWWDUVXYASXGSBQ-UHFFFAOYSA-N
MW278.28 g/mol
LogP2.28
Rot. Bonds3

About 4-[(3-fluoro-5-methylphenyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid

4-[(3-fluoro-5-methylphenyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 79210577) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is 4-[(3-fluoro-5-methylphenyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3-fluoro-5-methylphenyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid
PubChem CID79210577
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Name4-[(3-fluoro-5-methylphenyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid
SMILESCc1cc(F)cc(NC(=O)NC2C=CC(C(=O)O)C2)c1
InChIInChI=1S/C14H15FN2O3/c1-8-4-10(15)7-12(5-8)17-14(20)16-11-3-2-9(6-11)13(18)19/h2-5,7,9,11H,6H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyWWDUVXYASXGSBQ-UHFFFAOYSA-N
XLogP2.28
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 52.28
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-[(3-bromo-4-methylphenyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79215986
4-[(3-chloro-4-methylphenyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79216656
4-[(4-bromo-2,5-difluorophenyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 107614393
4-[(5-bromo-2,4-difluorophenyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 102854445
2-[(3-fluoro-5-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 79046093
4-[(4-cyanophenyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79216941
4-[[2-(4-methylanilino)-2-oxoacetyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 79191612
4-[(6-methoxy-3-pyridinyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79216088
4-[(4-fluoro-3-methylbenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79210093
2-[(3-fluoro-5-methylphenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82764542
1-(3-fluoro-5-pyrrolidin-1-ylphenyl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 71864282
4-[(3-fluorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79209105

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-5-methylphenyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[(3-fluoro-5-methylphenyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid (CID 79210577) is 4-[(3-fluoro-5-methylphenyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[(3-fluoro-5-methylphenyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[(3-fluoro-5-methylphenyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid is Cc1cc(F)cc(NC(=O)NC2C=CC(C(=O)O)C2)c1.
What is the InChIKey of 4-[(3-fluoro-5-methylphenyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is WWDUVXYASXGSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c1-8-4-10(15)7-12(5-8)17-14(20)16-11-3-2-9(6-11)13(18)19/h2-5,7,9,11H,6H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 4-[(3-fluoro-5-methylphenyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid?
4-[(3-fluoro-5-methylphenyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 278.28 g/mol, XLogP of 2.28, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoro-5-methylphenyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79210577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).