3-[[1-(2,4-difluorophenyl)cyclopentanecarbonyl]amino]butanoic acid

C16H19F2NO3 — CID 120522765

IUPAC3-[[1-(2,4-difluorophenyl)cyclopentanecarbonyl]amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)C1(c2ccc(F)cc2F)CCCC1
InChIInChI=1S/C16H19F2NO3/c1-10(8-14(20)21)19-15(22)16(6-2-3-7-16)12-5-4-11(17)9-13(12)18/h4-5,9-10H,2-3,6-8H2,1H3,(H,19,22)(H,20,21)
InChIKeyUSLKAQBXVYYBJQ-UHFFFAOYSA-N
MW311.33 g/mol
LogP2.76
Rot. Bonds5

About 3-[[1-(2,4-difluorophenyl)cyclopentanecarbonyl]amino]butanoic acid

3-[[1-(2,4-difluorophenyl)cyclopentanecarbonyl]amino]butanoic acid (PubChem CID 120522765) has the molecular formula C16H19F2NO3 and a molecular weight of 311.33 g/mol. Its IUPAC name is 3-[[1-(2,4-difluorophenyl)cyclopentanecarbonyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[[1-(2,4-difluorophenyl)cyclopentanecarbonyl]amino]butanoic acid
PubChem CID120522765
Molecular FormulaC16H19F2NO3
Molecular Weight311.33 g/mol
Exact Mass311.13
IUPAC Name3-[[1-(2,4-difluorophenyl)cyclopentanecarbonyl]amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)C1(c2ccc(F)cc2F)CCCC1
InChIInChI=1S/C16H19F2NO3/c1-10(8-14(20)21)19-15(22)16(6-2-3-7-16)12-5-4-11(17)9-13(12)18/h4-5,9-10H,2-3,6-8H2,1H3,(H,19,22)(H,20,21)
InChIKeyUSLKAQBXVYYBJQ-UHFFFAOYSA-N
XLogP2.76
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[[1-(2,4-difluorophenyl)cyclopentanecarbonyl]amino]butanoic 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

(E)-2-[[1-(2,4-difluorophenyl)cyclobutanecarbonyl]amino]hex-4-enoic acid
CID 120692958
3-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]butanoic acid
CID 119220664
2-[3-[[1-(2,4-difluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetic acid
CID 120530680
2-[[[1-(2,4-difluorophenyl)cyclobutanecarbonyl]amino]methyl]-2-ethylbutanoic acid
CID 120533442
1-[[[4-(2,4-difluorophenyl)oxane-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544305
3-[(2,4-difluorophenyl)methylcarbamoylamino]butanoic acid
CID 62228725
1-(2,4-difluorophenyl)-3-propan-2-ylcyclobutane-1-carboxylic acid
CID 65016879
1-[1-(2,4-difluorophenyl)cyclopropyl]ethanone
CID 83685876
1-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)cyclopentane-1-carboxamide
CID 46642602
3-[[1-(2,4-difluorophenyl)cyclopentyl]methylamino]-2-methyl-3-oxopropanoic acid
CID 122066556
1-amino-N-[1-(2,4-difluorophenoxy)propan-2-yl]cyclopentane-1-carboxamide
CID 119299978
methyl (2S)-3-(3-fluorophenyl)-2-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]propanoate
CID 134297740

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2,4-difluorophenyl)cyclopentanecarbonyl]amino]butanoic acid?
The IUPAC name of 3-[[1-(2,4-difluorophenyl)cyclopentanecarbonyl]amino]butanoic acid (CID 120522765) is 3-[[1-(2,4-difluorophenyl)cyclopentanecarbonyl]amino]butanoic acid.
What is the SMILES notation for 3-[[1-(2,4-difluorophenyl)cyclopentanecarbonyl]amino]butanoic acid?
The canonical SMILES for 3-[[1-(2,4-difluorophenyl)cyclopentanecarbonyl]amino]butanoic acid is CC(CC(=O)O)NC(=O)C1(c2ccc(F)cc2F)CCCC1.
What is the InChIKey of 3-[[1-(2,4-difluorophenyl)cyclopentanecarbonyl]amino]butanoic acid?
The InChIKey is USLKAQBXVYYBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2NO3/c1-10(8-14(20)21)19-15(22)16(6-2-3-7-16)12-5-4-11(17)9-13(12)18/h4-5,9-10H,2-3,6-8H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 3-[[1-(2,4-difluorophenyl)cyclopentanecarbonyl]amino]butanoic acid?
3-[[1-(2,4-difluorophenyl)cyclopentanecarbonyl]amino]butanoic acid has a molecular weight of 311.33 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2,4-difluorophenyl)cyclopentanecarbonyl]amino]butanoic acid is sourced from PubChem (CID 120522765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).