2-amino-3-(3,4-difluoro-5-phenylphenyl)propanoic acid

C15H13F2NO2 — CID 117443881

IUPAC2-amino-3-(3,4-difluoro-5-phenylphenyl)propanoic acid
SMILESNC(Cc1cc(F)c(F)c(-c2ccccc2)c1)C(=O)O
InChIInChI=1S/C15H13F2NO2/c16-12-7-9(8-13(18)15(19)20)6-11(14(12)17)10-4-2-1-3-5-10/h1-7,13H,8,18H2,(H,19,20)
InChIKeyJNSHRTXUYCPIFS-UHFFFAOYSA-N
MW277.27 g/mol
LogP2.59
Rot. Bonds4

About 2-amino-3-(3,4-difluoro-5-phenylphenyl)propanoic acid

2-amino-3-(3,4-difluoro-5-phenylphenyl)propanoic acid (PubChem CID 117443881) has the molecular formula C15H13F2NO2 and a molecular weight of 277.27 g/mol. Its IUPAC name is 2-amino-3-(3,4-difluoro-5-phenylphenyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(3,4-difluoro-5-phenylphenyl)propanoic acid
PubChem CID117443881
Molecular FormulaC15H13F2NO2
Molecular Weight277.27 g/mol
Exact Mass277.09
IUPAC Name2-amino-3-(3,4-difluoro-5-phenylphenyl)propanoic acid
SMILESNC(Cc1cc(F)c(F)c(-c2ccccc2)c1)C(=O)O
InChIInChI=1S/C15H13F2NO2/c16-12-7-9(8-13(18)15(19)20)6-11(14(12)17)10-4-2-1-3-5-10/h1-7,13H,8,18H2,(H,19,20)
InChIKeyJNSHRTXUYCPIFS-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

3-(3,4-difluoro-5-phenylphenyl)-2-methylpropanoic acid
CID 117442171
2-amino-3-(3-amino-4,5-difluorophenyl)propanoic acid
CID 117115180
2-amino-3-[4-(2-fluorophenyl)phenyl]propanoic acid;hydrochloride
CID 118157927
(2S)-2-amino-3-phenylpropanoic acid;1,1'-biphenyl
CID 67133421
[4-[(2S)-2-amino-2-carboxyethyl]-2,6-difluorophenyl](211At)astatine-211
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2-amino-3-(3,5-difluoro-4-methoxyphenyl)propanoic acid
CID 46737478
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
(2S)-2-amino-3-[4-(4-phenylphenyl)phenyl]propanoic acid;hydrochloride
CID 70131876
2-amino-3-[4-(2,4-difluorophenyl)phenyl]propanoic acid
CID 170879935
(2S)-2-amino-3-phenylpropanoic acid;niobium
CID 175055112
(2S)-2-amino-3-phenylpropanoic acid;azane
CID 163512949
2-amino-3-phenylpropanoic acid;azane
CID 174393642

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3,4-difluoro-5-phenylphenyl)propanoic acid?
The IUPAC name of 2-amino-3-(3,4-difluoro-5-phenylphenyl)propanoic acid (CID 117443881) is 2-amino-3-(3,4-difluoro-5-phenylphenyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(3,4-difluoro-5-phenylphenyl)propanoic acid?
The canonical SMILES for 2-amino-3-(3,4-difluoro-5-phenylphenyl)propanoic acid is NC(Cc1cc(F)c(F)c(-c2ccccc2)c1)C(=O)O.
What is the InChIKey of 2-amino-3-(3,4-difluoro-5-phenylphenyl)propanoic acid?
The InChIKey is JNSHRTXUYCPIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO2/c16-12-7-9(8-13(18)15(19)20)6-11(14(12)17)10-4-2-1-3-5-10/h1-7,13H,8,18H2,(H,19,20).
What are the key properties of 2-amino-3-(3,4-difluoro-5-phenylphenyl)propanoic acid?
2-amino-3-(3,4-difluoro-5-phenylphenyl)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-(3,4-difluoro-5-phenylphenyl)propanoic acid is sourced from PubChem (CID 117443881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).