(2R)-2-amino-2-(3-fluoro-5-methylphenyl)propanoic acid

C10H12FNO2 — CID 130657350

IUPAC(2R)-2-amino-2-(3-fluoro-5-methylphenyl)propanoic acid
SMILESCc1cc(F)cc([C@@](C)(N)C(=O)O)c1
InChIInChI=1S/C10H12FNO2/c1-6-3-7(5-8(11)4-6)10(2,12)9(13)14/h3-5H,12H2,1-2H3,(H,13,14)/t10-/m1/s1
InChIKeyPMHMEOWXLWDLQV-SNVBAGLBSA-N
MW197.21 g/mol
LogP1.39
Rot. Bonds2

About (2R)-2-amino-2-(3-fluoro-5-methylphenyl)propanoic acid

(2R)-2-amino-2-(3-fluoro-5-methylphenyl)propanoic acid (PubChem CID 130657350) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is (2R)-2-amino-2-(3-fluoro-5-methylphenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-(3-fluoro-5-methylphenyl)propanoic acid
PubChem CID130657350
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name(2R)-2-amino-2-(3-fluoro-5-methylphenyl)propanoic acid
SMILESCc1cc(F)cc([C@@](C)(N)C(=O)O)c1
InChIInChI=1S/C10H12FNO2/c1-6-3-7(5-8(11)4-6)10(2,12)9(13)14/h3-5H,12H2,1-2H3,(H,13,14)/t10-/m1/s1
InChIKeyPMHMEOWXLWDLQV-SNVBAGLBSA-N
XLogP1.39
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-2-(3,5-difluorophenyl)propanoic acid
CID 91290117
(2S)-2-amino-2-(3-bromo-5-methylphenyl)propanoic acid
CID 130618665
(2R)-2-amino-2-(3,5-dihydroxyphenyl)propanoic acid
CID 55253702
(2S)-2-amino-2-(2-fluoro-5-methylphenyl)propanoic acid
CID 130985670
2-amino-2-(4-fluoro-3-methylphenyl)propanoic acid;hydrochloride
CID 82129155
2-amino-2-(3,4-dimethylphenyl)propanoic acid
CID 24711823
(3S)-3-amino-3-(3-fluoro-5-methylphenyl)butan-1-ol
CID 130706389
4-(3-fluoro-5-methylphenyl)-4-methylpentan-2-one
CID 79704554
2-(3-fluoro-5-methylphenyl)-3,3-dimethylbutan-2-ol
CID 115401195
(2S)-2-(3,5-difluorophenyl)-2-hydroxypropanoic acid
CID 68847804
1-(3-fluoro-5-methylphenyl)-1-(4-methylphenyl)ethanol
CID 79691276
2-amino-2-(2,5-dimethylphenyl)propanoic acid
CID 24695518

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(3-fluoro-5-methylphenyl)propanoic acid?
The IUPAC name of (2R)-2-amino-2-(3-fluoro-5-methylphenyl)propanoic acid (CID 130657350) is (2R)-2-amino-2-(3-fluoro-5-methylphenyl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-2-(3-fluoro-5-methylphenyl)propanoic acid?
The canonical SMILES for (2R)-2-amino-2-(3-fluoro-5-methylphenyl)propanoic acid is Cc1cc(F)cc([C@@](C)(N)C(=O)O)c1.
What is the InChIKey of (2R)-2-amino-2-(3-fluoro-5-methylphenyl)propanoic acid?
The InChIKey is PMHMEOWXLWDLQV-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H12FNO2/c1-6-3-7(5-8(11)4-6)10(2,12)9(13)14/h3-5H,12H2,1-2H3,(H,13,14)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-2-(3-fluoro-5-methylphenyl)propanoic acid?
(2R)-2-amino-2-(3-fluoro-5-methylphenyl)propanoic acid has a molecular weight of 197.21 g/mol, XLogP of 1.39, 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-fluoro-5-methylphenyl)propanoic acid is sourced from PubChem (CID 130657350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).