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

C15H19FN2O3 — CID 82764528

IUPAC2-[[(4-fluorophenyl)-methylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCN(C(=O)NC1CCCC1(C)C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C15H19FN2O3/c1-15(13(19)20)9-3-4-12(15)17-14(21)18(2)11-7-5-10(16)6-8-11/h5-8,12H,3-4,9H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyGZSCICRUEKFETM-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.61
Rot. Bonds3

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

2-[[(4-fluorophenyl)-methylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid (PubChem CID 82764528) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 2-[[(4-fluorophenyl)-methylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[(4-fluorophenyl)-methylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
PubChem CID82764528
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name2-[[(4-fluorophenyl)-methylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCN(C(=O)NC1CCCC1(C)C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C15H19FN2O3/c1-15(13(19)20)9-3-4-12(15)17-14(21)18(2)11-7-5-10(16)6-8-11/h5-8,12H,3-4,9H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyGZSCICRUEKFETM-UHFFFAOYSA-N
XLogP2.61
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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

Analyze 2-[[(4-fluorophenyl)-methylcarbamoyl]amino]-1-methylcyclopentane-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 2-[[(4-fluorophenyl)-methylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[(4-fluorophenyl)-methylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid (CID 82764528) is 2-[[(4-fluorophenyl)-methylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[(4-fluorophenyl)-methylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[(4-fluorophenyl)-methylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid is CN(C(=O)NC1CCCC1(C)C(=O)O)c1ccc(F)cc1.
What is the InChIKey of 2-[[(4-fluorophenyl)-methylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is GZSCICRUEKFETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-15(13(19)20)9-3-4-12(15)17-14(21)18(2)11-7-5-10(16)6-8-11/h5-8,12H,3-4,9H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 2-[[(4-fluorophenyl)-methylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid?
2-[[(4-fluorophenyl)-methylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 294.33 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-fluorophenyl)-methylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 82764528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).