2-[(3-fluoro-4-methoxyphenyl)carbamoylamino]cyclopentane-1-carboxylic acid

C14H17FN2O4 — CID 64815928

IUPAC2-[(3-fluoro-4-methoxyphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCOc1ccc(NC(=O)NC2CCCC2C(=O)O)cc1F
InChIInChI=1S/C14H17FN2O4/c1-21-12-6-5-8(7-10(12)15)16-14(20)17-11-4-2-3-9(11)13(18)19/h5-7,9,11H,2-4H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyOGPSKPLIJOAWRH-UHFFFAOYSA-N
MW296.30 g/mol
LogP2.21
Rot. Bonds4

About 2-[(3-fluoro-4-methoxyphenyl)carbamoylamino]cyclopentane-1-carboxylic acid

2-[(3-fluoro-4-methoxyphenyl)carbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 64815928) has the molecular formula C14H17FN2O4 and a molecular weight of 296.30 g/mol. Its IUPAC name is 2-[(3-fluoro-4-methoxyphenyl)carbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-fluoro-4-methoxyphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID64815928
Molecular FormulaC14H17FN2O4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name2-[(3-fluoro-4-methoxyphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCOc1ccc(NC(=O)NC2CCCC2C(=O)O)cc1F
InChIInChI=1S/C14H17FN2O4/c1-21-12-6-5-8(7-10(12)15)16-14(20)17-11-4-2-3-9(11)13(18)19/h5-7,9,11H,2-4H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyOGPSKPLIJOAWRH-UHFFFAOYSA-N
XLogP2.21
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(3-fluoro-4-methoxyphenyl)carbamoylamino]cyclopentane-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

2-[(4-bromo-3-methoxyphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 82860446
2-[(3-fluoro-4-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 43529188
cis-(1R,3S)-3-[(3-fluoro-4-methoxyphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106319304
trans-(1S,2S)-2-[(4-fluoro-3-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 124572084
2-amino-N-(3-fluoro-4-methoxyphenyl)cyclohexane-1-carboxamide
CID 64822720
2-[[3-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 64815752
3-fluoro-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methoxybenzamide
CID 76978535
2-(3-fluoro-4-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 81009100
2-[[4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoyl]amino]cyclooctane-1-carboxylic acid
CID 120688810
2-cyclopropyl-2-[(3-fluoro-4-methoxyphenyl)carbamoylamino]propanoic acid
CID 61199203
1-cyclopentyl-3-(3-fluoro-4-methoxyphenyl)thiourea
CID 115605177
2-[(3-fluoro-5-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 79046093

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-methoxyphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(3-fluoro-4-methoxyphenyl)carbamoylamino]cyclopentane-1-carboxylic acid (CID 64815928) is 2-[(3-fluoro-4-methoxyphenyl)carbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-fluoro-4-methoxyphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(3-fluoro-4-methoxyphenyl)carbamoylamino]cyclopentane-1-carboxylic acid is COc1ccc(NC(=O)NC2CCCC2C(=O)O)cc1F.
What is the InChIKey of 2-[(3-fluoro-4-methoxyphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is OGPSKPLIJOAWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O4/c1-21-12-6-5-8(7-10(12)15)16-14(20)17-11-4-2-3-9(11)13(18)19/h5-7,9,11H,2-4H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[(3-fluoro-4-methoxyphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
2-[(3-fluoro-4-methoxyphenyl)carbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 296.30 g/mol, XLogP of 2.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4-methoxyphenyl)carbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64815928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).