(2R)-2-amino-2-(3,5-difluorophenyl)propanoic acid

C9H9F2NO2 — CID 91290117

IUPAC(2R)-2-amino-2-(3,5-difluorophenyl)propanoic acid
SMILESC[C@](N)(C(=O)O)c1cc(F)cc(F)c1
InChIInChI=1S/C9H9F2NO2/c1-9(12,8(13)14)5-2-6(10)4-7(11)3-5/h2-4H,12H2,1H3,(H,13,14)/t9-/m1/s1
InChIKeyGNSHUGHPUBDAGG-SECBINFHSA-N
MW201.17 g/mol
LogP1.22
Rot. Bonds2

About (2R)-2-amino-2-(3,5-difluorophenyl)propanoic acid

(2R)-2-amino-2-(3,5-difluorophenyl)propanoic acid (PubChem CID 91290117) has the molecular formula C9H9F2NO2 and a molecular weight of 201.17 g/mol. Its IUPAC name is (2R)-2-amino-2-(3,5-difluorophenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-(3,5-difluorophenyl)propanoic acid
PubChem CID91290117
Molecular FormulaC9H9F2NO2
Molecular Weight201.17 g/mol
Exact Mass201.06
IUPAC Name(2R)-2-amino-2-(3,5-difluorophenyl)propanoic acid
SMILESC[C@](N)(C(=O)O)c1cc(F)cc(F)c1
InChIInChI=1S/C9H9F2NO2/c1-9(12,8(13)14)5-2-6(10)4-7(11)3-5/h2-4H,12H2,1H3,(H,13,14)/t9-/m1/s1
InChIKeyGNSHUGHPUBDAGG-SECBINFHSA-N
XLogP1.22
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.17
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-2-(3-fluoro-5-methylphenyl)propanoic acid
CID 130657350
(2S)-2-(3,5-difluorophenyl)-2-hydroxypropanoic acid
CID 68847804
(2R)-2-amino-2-(3,5-dihydroxyphenyl)propanoic acid
CID 55253702
2-amino-2-(3-fluoro-4-hydroxyphenyl)propanoic acid
CID 55272926
2-amino-2-(4-fluoro-3-methylphenyl)propanoic acid;hydrochloride
CID 82129155
(2S)-2-amino-2-(4-chloro-3-fluorophenyl)propanoic acid
CID 130713709
[2-amino-2-(3,5-difluorophenyl)propyl] 2-amino-2-methylpropanoate;2,2,2-trifluoroacetic acid
CID 66954947
(2S)-2-amino-2-(3-bromo-5-methylphenyl)propanoic acid
CID 130618665
2-(3,5-difluorophenyl)-4-hydroxy-2-methylbutanoic acid
CID 117049901
2-amino-2-(3,4-dimethylphenyl)propanoic acid
CID 24711823
acetic acid;1,3,5-trifluorobenzene
CID 162178148
(2R)-2-amino-2-pyren-2-ylpropanoic acid
CID 100968377

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(3,5-difluorophenyl)propanoic acid?
The IUPAC name of (2R)-2-amino-2-(3,5-difluorophenyl)propanoic acid (CID 91290117) is (2R)-2-amino-2-(3,5-difluorophenyl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-2-(3,5-difluorophenyl)propanoic acid?
The canonical SMILES for (2R)-2-amino-2-(3,5-difluorophenyl)propanoic acid is C[C@](N)(C(=O)O)c1cc(F)cc(F)c1.
What is the InChIKey of (2R)-2-amino-2-(3,5-difluorophenyl)propanoic acid?
The InChIKey is GNSHUGHPUBDAGG-SECBINFHSA-N. The full InChI is InChI=1S/C9H9F2NO2/c1-9(12,8(13)14)5-2-6(10)4-7(11)3-5/h2-4H,12H2,1H3,(H,13,14)/t9-/m1/s1.
What are the key properties of (2R)-2-amino-2-(3,5-difluorophenyl)propanoic acid?
(2R)-2-amino-2-(3,5-difluorophenyl)propanoic acid has a molecular weight of 201.17 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(3,5-difluorophenyl)propanoic acid is sourced from PubChem (CID 91290117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).