2-amino-3-(2,5-difluorophenyl)butanoic acid

C10H11F2NO2 — CID 83909955

IUPAC2-amino-3-(2,5-difluorophenyl)butanoic acid
SMILESCC(c1cc(F)ccc1F)C(N)C(=O)O
InChIInChI=1S/C10H11F2NO2/c1-5(9(13)10(14)15)7-4-6(11)2-3-8(7)12/h2-5,9H,13H2,1H3,(H,14,15)
InChIKeyHWRFLNHLQDJKNN-UHFFFAOYSA-N
MW215.20 g/mol
LogP1.48
Rot. Bonds3

About 2-amino-3-(2,5-difluorophenyl)butanoic acid

2-amino-3-(2,5-difluorophenyl)butanoic acid (PubChem CID 83909955) has the molecular formula C10H11F2NO2 and a molecular weight of 215.20 g/mol. Its IUPAC name is 2-amino-3-(2,5-difluorophenyl)butanoic acid.

Molecular Properties

Compound Name2-amino-3-(2,5-difluorophenyl)butanoic acid
PubChem CID83909955
Molecular FormulaC10H11F2NO2
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Name2-amino-3-(2,5-difluorophenyl)butanoic acid
SMILESCC(c1cc(F)ccc1F)C(N)C(=O)O
InChIInChI=1S/C10H11F2NO2/c1-5(9(13)10(14)15)7-4-6(11)2-3-8(7)12/h2-5,9H,13H2,1H3,(H,14,15)
InChIKeyHWRFLNHLQDJKNN-UHFFFAOYSA-N
XLogP1.48
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-(2-fluoro-5-methylphenyl)butanoic acid
CID 138535537
(2S)-2-(2,5-difluorophenyl)propanoic acid
CID 93182242
3-bromo-4-(2,5-difluorophenyl)pentan-2-one
CID 64720936
2-(2,5-difluorophenyl)propanamide
CID 141213802
(1S)-1-(2,5-difluorophenyl)ethanamine;hydrochloride
CID 53484729
4-(2,5-difluorophenyl)-4-hydroxy-2,3-dimethylbutanoic acid
CID 79414806
(1R,2R)-1-amino-1-(2,5-difluorophenyl)propan-2-ol
CID 130697354
methyl (2S)-2-amino-2-(2,5-difluorophenyl)acetate
CID 51888842
methyl 2-(2,5-difluorophenyl)propanoate
CID 62801922
2,3-diamino-3-(5-fluoro-2-methoxyphenyl)propanoic acid
CID 116942190
2-(2,5-difluorophenyl)pentan-3-ol
CID 79299015
3-(2,4-difluorophenyl)-2-methylbutanoic acid
CID 79729834

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,5-difluorophenyl)butanoic acid?
The IUPAC name of 2-amino-3-(2,5-difluorophenyl)butanoic acid (CID 83909955) is 2-amino-3-(2,5-difluorophenyl)butanoic acid.
What is the SMILES notation for 2-amino-3-(2,5-difluorophenyl)butanoic acid?
The canonical SMILES for 2-amino-3-(2,5-difluorophenyl)butanoic acid is CC(c1cc(F)ccc1F)C(N)C(=O)O.
What is the InChIKey of 2-amino-3-(2,5-difluorophenyl)butanoic acid?
The InChIKey is HWRFLNHLQDJKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO2/c1-5(9(13)10(14)15)7-4-6(11)2-3-8(7)12/h2-5,9H,13H2,1H3,(H,14,15).
What are the key properties of 2-amino-3-(2,5-difluorophenyl)butanoic acid?
2-amino-3-(2,5-difluorophenyl)butanoic acid has a molecular weight of 215.20 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,5-difluorophenyl)butanoic acid is sourced from PubChem (CID 83909955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).