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

C13H13F2NO3 — CID 119225395

IUPAC2-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
SMILESCC(NC(=O)C1CC1c1cccc(F)c1F)C(=O)O
InChIInChI=1S/C13H13F2NO3/c1-6(13(18)19)16-12(17)9-5-8(9)7-3-2-4-10(14)11(7)15/h2-4,6,8-9H,5H2,1H3,(H,16,17)(H,18,19)
InChIKeyCHSRTWVQMAZTLF-UHFFFAOYSA-N
MW269.25 g/mol
LogP1.66
Rot. Bonds4

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

2-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid (PubChem CID 119225395) has the molecular formula C13H13F2NO3 and a molecular weight of 269.25 g/mol. Its IUPAC name is 2-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
PubChem CID119225395
Molecular FormulaC13H13F2NO3
Molecular Weight269.25 g/mol
Exact Mass269.09
IUPAC Name2-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
SMILESCC(NC(=O)C1CC1c1cccc(F)c1F)C(=O)O
InChIInChI=1S/C13H13F2NO3/c1-6(13(18)19)16-12(17)9-5-8(9)7-3-2-4-10(14)11(7)15/h2-4,6,8-9H,5H2,1H3,(H,16,17)(H,18,19)
InChIKeyCHSRTWVQMAZTLF-UHFFFAOYSA-N
XLogP1.66
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid?
The IUPAC name of 2-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid (CID 119225395) is 2-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid is CC(NC(=O)C1CC1c1cccc(F)c1F)C(=O)O.
What is the InChIKey of 2-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid?
The InChIKey is CHSRTWVQMAZTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO3/c1-6(13(18)19)16-12(17)9-5-8(9)7-3-2-4-10(14)11(7)15/h2-4,6,8-9H,5H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid?
2-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid has a molecular weight of 269.25 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid is sourced from PubChem (CID 119225395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).