4-[[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]butanoic acid

C15H16F3NO3 — CID 129415418

IUPAC4-[[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]butanoic acid
SMILESO=C(O)CCCNC(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F
InChIInChI=1S/C15H16F3NO3/c16-15(17,18)12-5-2-1-4-9(12)10-8-11(10)14(22)19-7-3-6-13(20)21/h1-2,4-5,10-11H,3,6-8H2,(H,19,22)(H,20,21)/t10-,11-/m0/s1
InChIKeyISVRJMDJECHFOB-QWRGUYRKSA-N
MW315.29 g/mol
LogP2.79
Rot. Bonds6

About 4-[[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]butanoic acid

4-[[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]butanoic acid (PubChem CID 129415418) has the molecular formula C15H16F3NO3 and a molecular weight of 315.29 g/mol. Its IUPAC name is 4-[[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]butanoic acid
PubChem CID129415418
Molecular FormulaC15H16F3NO3
Molecular Weight315.29 g/mol
Exact Mass315.11
IUPAC Name4-[[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]butanoic acid
SMILESO=C(O)CCCNC(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F
InChIInChI=1S/C15H16F3NO3/c16-15(17,18)12-5-2-1-4-9(12)10-8-11(10)14(22)19-7-3-6-13(20)21/h1-2,4-5,10-11H,3,6-8H2,(H,19,22)(H,20,21)/t10-,11-/m0/s1
InChIKeyISVRJMDJECHFOB-QWRGUYRKSA-N
XLogP2.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]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

3-[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid
CID 119176944
methyl 6-[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]hexanoate
CID 86914458
trans-(1S,2S)-N-(2-sulfamoylethyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 96559310
5-[[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]pentanoic acid
CID 99849422
N-(2-hydroxypropyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 78856114
3-[methyl-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid
CID 75495592
4-[[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]butanoic acid
CID 124700868
cis-(1R,2S)-N'-acetyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide
CID 95907598
cis-(1R,2S)-2-[2-(trifluoromethyl)phenyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide
CID 97185406
(2S)-2-[[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid
CID 99849440
2-[[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 102559952
3-[[(1S,2R)-2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 124704689

Frequently Asked Questions

What is the IUPAC name of 4-[[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]butanoic acid?
The IUPAC name of 4-[[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]butanoic acid (CID 129415418) is 4-[[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]butanoic acid.
What is the SMILES notation for 4-[[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]butanoic acid?
The canonical SMILES for 4-[[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]butanoic acid is O=C(O)CCCNC(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F.
What is the InChIKey of 4-[[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]butanoic acid?
The InChIKey is ISVRJMDJECHFOB-QWRGUYRKSA-N. The full InChI is InChI=1S/C15H16F3NO3/c16-15(17,18)12-5-2-1-4-9(12)10-8-11(10)14(22)19-7-3-6-13(20)21/h1-2,4-5,10-11H,3,6-8H2,(H,19,22)(H,20,21)/t10-,11-/m0/s1.
What are the key properties of 4-[[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]butanoic acid?
4-[[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]butanoic acid has a molecular weight of 315.29 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]butanoic acid is sourced from PubChem (CID 129415418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).