2-amino-3-[4-(2,4-difluorophenyl)phenyl]propanoic acid

C15H13F2NO2 — CID 170879935

IUPAC2-amino-3-[4-(2,4-difluorophenyl)phenyl]propanoic acid
SMILESNC(Cc1ccc(-c2ccc(F)cc2F)cc1)C(=O)O
InChIInChI=1S/C15H13F2NO2/c16-11-5-6-12(13(17)8-11)10-3-1-9(2-4-10)7-14(18)15(19)20/h1-6,8,14H,7,18H2,(H,19,20)
InChIKeyXEHIWODNAHAPIJ-UHFFFAOYSA-N
MW277.27 g/mol
LogP2.59
Rot. Bonds4

About 2-amino-3-[4-(2,4-difluorophenyl)phenyl]propanoic acid

2-amino-3-[4-(2,4-difluorophenyl)phenyl]propanoic acid (PubChem CID 170879935) has the molecular formula C15H13F2NO2 and a molecular weight of 277.27 g/mol. Its IUPAC name is 2-amino-3-[4-(2,4-difluorophenyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[4-(2,4-difluorophenyl)phenyl]propanoic acid
PubChem CID170879935
Molecular FormulaC15H13F2NO2
Molecular Weight277.27 g/mol
Exact Mass277.09
IUPAC Name2-amino-3-[4-(2,4-difluorophenyl)phenyl]propanoic acid
SMILESNC(Cc1ccc(-c2ccc(F)cc2F)cc1)C(=O)O
InChIInChI=1S/C15H13F2NO2/c16-11-5-6-12(13(17)8-11)10-3-1-9(2-4-10)7-14(18)15(19)20/h1-6,8,14H,7,18H2,(H,19,20)
InChIKeyXEHIWODNAHAPIJ-UHFFFAOYSA-N
XLogP2.59
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-[4-(2-fluorophenyl)phenyl]propanoic acid;hydrochloride
CID 118157927
(2S)-2-amino-3-(4-fluorophenyl)propanoic acid
CID 716312
(2S)-2-amino-3-[4-(4-chlorophenyl)phenyl]propanoic acid
CID 70052884
2-amino-3-[4-(4-chlorophenyl)phenyl]propanoic acid
CID 19094367
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrogen peroxide
CID 87135815
2-amino-3-(4-hydroxyphenyl)propanoic acid;λ2-plumbane
CID 175006953
(2S)-2-amino-3-(4-hydroxy(3,5-13C2)cyclohexa-1,3,5-trien-1-yl)propanoic acid
CID 162642143
(2S)-3-[4-(2,4-difluorophenyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 172915570
2-amino-3-[4-(4-chlorophenyl)phenyl]propanoic acid;hydrochloride
CID 70052889
(2S)-2-amino-3-[4-(4-phenylphenyl)phenyl]propanoic acid;hydrochloride
CID 70131876
2-amino-3-(3,4-difluoro-5-phenylphenyl)propanoic acid
CID 117443881
(2S)-2-amino-3-(4-ethylphenyl)propanoic acid
CID 13406785

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-(2,4-difluorophenyl)phenyl]propanoic acid?
The IUPAC name of 2-amino-3-[4-(2,4-difluorophenyl)phenyl]propanoic acid (CID 170879935) is 2-amino-3-[4-(2,4-difluorophenyl)phenyl]propanoic acid.
What is the SMILES notation for 2-amino-3-[4-(2,4-difluorophenyl)phenyl]propanoic acid?
The canonical SMILES for 2-amino-3-[4-(2,4-difluorophenyl)phenyl]propanoic acid is NC(Cc1ccc(-c2ccc(F)cc2F)cc1)C(=O)O.
What is the InChIKey of 2-amino-3-[4-(2,4-difluorophenyl)phenyl]propanoic acid?
The InChIKey is XEHIWODNAHAPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO2/c16-11-5-6-12(13(17)8-11)10-3-1-9(2-4-10)7-14(18)15(19)20/h1-6,8,14H,7,18H2,(H,19,20).
What are the key properties of 2-amino-3-[4-(2,4-difluorophenyl)phenyl]propanoic acid?
2-amino-3-[4-(2,4-difluorophenyl)phenyl]propanoic acid has a molecular weight of 277.27 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-(2,4-difluorophenyl)phenyl]propanoic acid is sourced from PubChem (CID 170879935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).