3-[[2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]-2-methyl-3-phenylpropanoic acid

C20H19F2NO3 — CID 119219050

IUPAC3-[[2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]-2-methyl-3-phenylpropanoic acid
SMILESCC(C(=O)O)C(NC(=O)C1CC1c1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C20H19F2NO3/c1-11(20(25)26)18(12-5-3-2-4-6-12)23-19(24)16-10-15(16)14-8-7-13(21)9-17(14)22/h2-9,11,15-16,18H,10H2,1H3,(H,23,24)(H,25,26)
InChIKeyPUNAHSIBJSQRQX-UHFFFAOYSA-N
MW359.37 g/mol
LogP3.65
Rot. Bonds6

About 3-[[2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]-2-methyl-3-phenylpropanoic acid

3-[[2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]-2-methyl-3-phenylpropanoic acid (PubChem CID 119219050) has the molecular formula C20H19F2NO3 and a molecular weight of 359.37 g/mol. Its IUPAC name is 3-[[2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]-2-methyl-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-[[2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]-2-methyl-3-phenylpropanoic acid
PubChem CID119219050
Molecular FormulaC20H19F2NO3
Molecular Weight359.37 g/mol
Exact Mass359.13
IUPAC Name3-[[2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]-2-methyl-3-phenylpropanoic acid
SMILESCC(C(=O)O)C(NC(=O)C1CC1c1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C20H19F2NO3/c1-11(20(25)26)18(12-5-3-2-4-6-12)23-19(24)16-10-15(16)14-8-7-13(21)9-17(14)22/h2-9,11,15-16,18H,10H2,1H3,(H,23,24)(H,25,26)
InChIKeyPUNAHSIBJSQRQX-UHFFFAOYSA-N
XLogP3.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[[2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]-2-methyl-3-phenylpropanoic 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-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]-2-methyl-3-phenylpropanoic acid
CID 119218893
(2R)-2-[[2-(2,5-difluorophenyl)cyclopropanecarbonyl]amino]-3-methylbutanoic acid
CID 119369587
cis-(1R,2S)-2-(2,4-difluorophenyl)-N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]cyclopropane-1-carboxamide
CID 95625422
cis-(1R,2S)-2-(2-fluorophenyl)-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
CID 97021078
(2S)-2-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119238212
2-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119225395
4-[[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]butanoic acid
CID 124700868
2-(2,4-difluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide
CID 119432498
cis-(1R,3S)-3-[[2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678040
3-[[2-(2,4-difluorophenyl)cyclopropanecarbonyl]-propan-2-ylamino]propanoic acid
CID 119207545
(2R)-3-[cyclopropyl-[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]-2-methylpropanoic acid
CID 125149189
propan-2-yl 3-[[2-(2-fluorophenyl)cyclopropanecarbonyl]amino]-3-phenylpropanoate
CID 134009754

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]-2-methyl-3-phenylpropanoic acid?
The IUPAC name of 3-[[2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]-2-methyl-3-phenylpropanoic acid (CID 119219050) is 3-[[2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]-2-methyl-3-phenylpropanoic acid.
What is the SMILES notation for 3-[[2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]-2-methyl-3-phenylpropanoic acid?
The canonical SMILES for 3-[[2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]-2-methyl-3-phenylpropanoic acid is CC(C(=O)O)C(NC(=O)C1CC1c1ccc(F)cc1F)c1ccccc1.
What is the InChIKey of 3-[[2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]-2-methyl-3-phenylpropanoic acid?
The InChIKey is PUNAHSIBJSQRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2NO3/c1-11(20(25)26)18(12-5-3-2-4-6-12)23-19(24)16-10-15(16)14-8-7-13(21)9-17(14)22/h2-9,11,15-16,18H,10H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 3-[[2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]-2-methyl-3-phenylpropanoic acid?
3-[[2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]-2-methyl-3-phenylpropanoic acid has a molecular weight of 359.37 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]-2-methyl-3-phenylpropanoic acid is sourced from PubChem (CID 119219050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).