3-[[ethyl-(2-fluorophenyl)carbamoyl]amino]cyclopentane-1-carboxylic acid

C15H19FN2O3 — CID 66030847

IUPAC3-[[ethyl-(2-fluorophenyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCCN(C(=O)NC1CCC(C(=O)O)C1)c1ccccc1F
InChIInChI=1S/C15H19FN2O3/c1-2-18(13-6-4-3-5-12(13)16)15(21)17-11-8-7-10(9-11)14(19)20/h3-6,10-11H,2,7-9H2,1H3,(H,17,21)(H,19,20)
InChIKeyZIGXXTZFKCHKCA-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.61
Rot. Bonds4

About 3-[[ethyl-(2-fluorophenyl)carbamoyl]amino]cyclopentane-1-carboxylic acid

3-[[ethyl-(2-fluorophenyl)carbamoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 66030847) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 3-[[ethyl-(2-fluorophenyl)carbamoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[ethyl-(2-fluorophenyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID66030847
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name3-[[ethyl-(2-fluorophenyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCCN(C(=O)NC1CCC(C(=O)O)C1)c1ccccc1F
InChIInChI=1S/C15H19FN2O3/c1-2-18(13-6-4-3-5-12(13)16)15(21)17-11-8-7-10(9-11)14(19)20/h3-6,10-11H,2,7-9H2,1H3,(H,17,21)(H,19,20)
InChIKeyZIGXXTZFKCHKCA-UHFFFAOYSA-N
XLogP2.61
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,3S)-3-[[ethyl-(2-methylphenyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106324097
3-[ethyl-(2-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550638
2-[ethyl-(2-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978665
2-[ethyl-(2-fluorophenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390910
ethyl-(2-fluorophenyl)carbamic acid
CID 57376109
N-ethyl-N-(2-fluorophenyl)-2-methylpiperidine-4-carboxamide
CID 106739902
(3S)-1-[ethyl-(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81119032
3-cyclopropyl-1-(2-fluorophenyl)-1-hydroxyurea
CID 12782787
3-[N-(cyclopropanecarbonyl)-2-fluoroanilino]propanoic acid
CID 28764280
cis-(1R,3S)-3-[3-(2,3-difluorophenyl)propanoylamino]cyclopentane-1-carboxylic acid
CID 120678802
cis-(1R,3S)-3-[2-(2-fluorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 106320893
cis-(1S,3R)-3-[(2-ethoxy-3-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120676191

Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl-(2-fluorophenyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[[ethyl-(2-fluorophenyl)carbamoyl]amino]cyclopentane-1-carboxylic acid (CID 66030847) is 3-[[ethyl-(2-fluorophenyl)carbamoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[[ethyl-(2-fluorophenyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[[ethyl-(2-fluorophenyl)carbamoyl]amino]cyclopentane-1-carboxylic acid is CCN(C(=O)NC1CCC(C(=O)O)C1)c1ccccc1F.
What is the InChIKey of 3-[[ethyl-(2-fluorophenyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is ZIGXXTZFKCHKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-2-18(13-6-4-3-5-12(13)16)15(21)17-11-8-7-10(9-11)14(19)20/h3-6,10-11H,2,7-9H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 3-[[ethyl-(2-fluorophenyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
3-[[ethyl-(2-fluorophenyl)carbamoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 294.33 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl-(2-fluorophenyl)carbamoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66030847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).