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

C14H15F2NO3 — CID 119237113

IUPAC3-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)C1CC1c1cccc(F)c1F)C(=O)O
InChIInChI=1S/C14H15F2NO3/c1-7(14(19)20)6-17-13(18)10-5-9(10)8-3-2-4-11(15)12(8)16/h2-4,7,9-10H,5-6H2,1H3,(H,17,18)(H,19,20)
InChIKeyNWACZJFXSPPYQJ-UHFFFAOYSA-N
MW283.27 g/mol
LogP1.91
Rot. Bonds5

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

3-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]-2-methylpropanoic acid (PubChem CID 119237113) has the molecular formula C14H15F2NO3 and a molecular weight of 283.27 g/mol. Its IUPAC name is 3-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]-2-methylpropanoic acid
PubChem CID119237113
Molecular FormulaC14H15F2NO3
Molecular Weight283.27 g/mol
Exact Mass283.10
IUPAC Name3-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)C1CC1c1cccc(F)c1F)C(=O)O
InChIInChI=1S/C14H15F2NO3/c1-7(14(19)20)6-17-13(18)10-5-9(10)8-3-2-4-11(15)12(8)16/h2-4,7,9-10H,5-6H2,1H3,(H,17,18)(H,19,20)
InChIKeyNWACZJFXSPPYQJ-UHFFFAOYSA-N
XLogP1.91
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119225395
(2S)-2-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119238212
2-(2,3-difluorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]cyclopropane-1-carboxamide
CID 111477167
3-[[(1S,2R)-2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 124704689
3-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]-2-methyl-3-phenylpropanoic acid
CID 119218893
trans-(1R,2R)-N-(cyclobutylmethyl)-2-(2,3-difluorophenyl)cyclopropane-1-carboxamide
CID 97076598
2-[[[2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]methyl]-4-methylpentanoic acid
CID 119253082
N-(diethylsulfamoyl)-2-(2,3-difluorophenyl)cyclopropane-1-carboxamide
CID 154749510
1-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 119176592
trans-(1R,2R)-2-(2,3-difluorophenyl)-N-[(2R)-4-morpholin-4-ylbutan-2-yl]cyclopropane-1-carboxamide
CID 129424828
4-[[(1R,2S)-2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxylic acid
CID 125132036
N-(1-aminopropan-2-yl)-2-(2,3-difluorophenyl)-N-methylcyclopropane-1-carboxamide
CID 119585310

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]-2-methylpropanoic acid (CID 119237113) is 3-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]-2-methylpropanoic acid is CC(CNC(=O)C1CC1c1cccc(F)c1F)C(=O)O.
What is the InChIKey of 3-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]-2-methylpropanoic acid?
The InChIKey is NWACZJFXSPPYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO3/c1-7(14(19)20)6-17-13(18)10-5-9(10)8-3-2-4-11(15)12(8)16/h2-4,7,9-10H,5-6H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 3-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]-2-methylpropanoic acid?
3-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]-2-methylpropanoic acid has a molecular weight of 283.27 g/mol, XLogP of 1.91, 5 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-methylpropanoic acid is sourced from PubChem (CID 119237113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).