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

C14H15FN2O3 — CID 79216504

IUPAC4-[[(2-fluorophenyl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid
SMILESCN(C(=O)NC1C=CC(C(=O)O)C1)c1ccccc1F
InChIInChI=1S/C14H15FN2O3/c1-17(12-5-3-2-4-11(12)15)14(20)16-10-7-6-9(8-10)13(18)19/h2-7,9-10H,8H2,1H3,(H,16,20)(H,18,19)
InChIKeyGREXZQVHLIJKEU-UHFFFAOYSA-N
MW278.28 g/mol
LogP2.00
Rot. Bonds3

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

4-[[(2-fluorophenyl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 79216504) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is 4-[[(2-fluorophenyl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(2-fluorophenyl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid
PubChem CID79216504
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Name4-[[(2-fluorophenyl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid
SMILESCN(C(=O)NC1C=CC(C(=O)O)C1)c1ccccc1F
InChIInChI=1S/C14H15FN2O3/c1-17(12-5-3-2-4-11(12)15)14(20)16-10-7-6-9(8-10)13(18)19/h2-7,9-10H,8H2,1H3,(H,16,20)(H,18,19)
InChIKeyGREXZQVHLIJKEU-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'}

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Related Compounds

4-[[benzyl(methyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 79216968
2-[[(2-fluorophenyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid
CID 64816362
4-[[(4-methoxyphenyl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 79191333
3-cyclohexyl-1-(2-fluorophenyl)-1-methylurea;hydrochloride
CID 174490608
4-[3-(2-fluorophenyl)prop-2-enoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79209352
(1R,4S)-4-benzamidocyclopent-2-ene-1-carboxylic acid
CID 18657670
4-[2-(2-fluorophenyl)ethylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79191793
4-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 79215965
4-[[methyl(pentan-3-yl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 79216040
4-[(4-fluoro-3-methylbenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79210093
4-[bis(2-hydroxyethyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79216415
4-[(3,4,5-trifluorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79209881

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-fluorophenyl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[[(2-fluorophenyl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid (CID 79216504) is 4-[[(2-fluorophenyl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[[(2-fluorophenyl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[[(2-fluorophenyl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid is CN(C(=O)NC1C=CC(C(=O)O)C1)c1ccccc1F.
What is the InChIKey of 4-[[(2-fluorophenyl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is GREXZQVHLIJKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c1-17(12-5-3-2-4-11(12)15)14(20)16-10-7-6-9(8-10)13(18)19/h2-7,9-10H,8H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 4-[[(2-fluorophenyl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid?
4-[[(2-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-[[(2-fluorophenyl)-methylcarbamoyl]amino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79216504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).