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

C20H19F2NO3 — CID 119218893

IUPAC3-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]-2-methyl-3-phenylpropanoic acid
SMILESCC(C(=O)O)C(NC(=O)C1CC1c1cccc(F)c1F)c1ccccc1
InChIInChI=1S/C20H19F2NO3/c1-11(20(25)26)18(12-6-3-2-4-7-12)23-19(24)15-10-14(15)13-8-5-9-16(21)17(13)22/h2-9,11,14-15,18H,10H2,1H3,(H,23,24)(H,25,26)
InChIKeyDLEOEHAQDVSUDB-UHFFFAOYSA-N
MW359.37 g/mol
LogP3.65
Rot. Bonds6

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

3-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]-2-methyl-3-phenylpropanoic acid (PubChem CID 119218893) has the molecular formula C20H19F2NO3 and a molecular weight of 359.37 g/mol. Its IUPAC name is 3-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]-2-methyl-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]-2-methyl-3-phenylpropanoic acid
PubChem CID119218893
Molecular FormulaC20H19F2NO3
Molecular Weight359.37 g/mol
Exact Mass359.13
IUPAC Name3-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]-2-methyl-3-phenylpropanoic acid
SMILESCC(C(=O)O)C(NC(=O)C1CC1c1cccc(F)c1F)c1ccccc1
InChIInChI=1S/C20H19F2NO3/c1-11(20(25)26)18(12-6-3-2-4-7-12)23-19(24)15-10-14(15)13-8-5-9-16(21)17(13)22/h2-9,11,14-15,18H,10H2,1H3,(H,23,24)(H,25,26)
InChIKeyDLEOEHAQDVSUDB-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

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Related Compounds

3-[[2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]-2-methyl-3-phenylpropanoic acid
CID 119219050
2-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119225395
(2S)-2-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119238212
3-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]-2-methylpropanoic acid
CID 119237113
trans-(1S,2S)-N-[(R)-(3-bromophenyl)-cyanomethyl]-2-(2,3-difluorophenyl)cyclopropane-1-carboxamide
CID 97216664
trans-(1R,2R)-2-(2,3-difluorophenyl)-N-[(2R)-4-morpholin-4-ylbutan-2-yl]cyclopropane-1-carboxamide
CID 129424828
propan-2-yl 3-[[2-(2-fluorophenyl)cyclopropanecarbonyl]amino]-3-phenylpropanoate
CID 134009754
3-[[(1S,2R)-2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 124704689
cis-(1R,2S)-2-(2-fluorophenyl)-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
CID 97021078
2-(2-chlorophenyl)-N-(1-phenylethyl)cyclopropane-1-carboxamide
CID 51291710
1-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 119176592
4-[[(1R,2S)-2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxylic acid
CID 125132036

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]-2-methyl-3-phenylpropanoic acid?
The IUPAC name of 3-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]-2-methyl-3-phenylpropanoic acid (CID 119218893) is 3-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]-2-methyl-3-phenylpropanoic acid.
What is the SMILES notation for 3-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]-2-methyl-3-phenylpropanoic acid?
The canonical SMILES for 3-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]-2-methyl-3-phenylpropanoic acid is CC(C(=O)O)C(NC(=O)C1CC1c1cccc(F)c1F)c1ccccc1.
What is the InChIKey of 3-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]-2-methyl-3-phenylpropanoic acid?
The InChIKey is DLEOEHAQDVSUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2NO3/c1-11(20(25)26)18(12-6-3-2-4-7-12)23-19(24)15-10-14(15)13-8-5-9-16(21)17(13)22/h2-9,11,14-15,18H,10H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 3-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]-2-methyl-3-phenylpropanoic acid?
3-[[2-(2,3-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-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]-2-methyl-3-phenylpropanoic acid is sourced from PubChem (CID 119218893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).