(2R)-2-amino-3-(4-fluoro-3,5-dimethylphenyl)propanoic acid

C11H14FNO2 — CID 93478162

IUPAC(2R)-2-amino-3-(4-fluoro-3,5-dimethylphenyl)propanoic acid
SMILESCc1cc(C[C@@H](N)C(=O)O)cc(C)c1F
InChIInChI=1S/C11H14FNO2/c1-6-3-8(4-7(2)10(6)12)5-9(13)11(14)15/h3-4,9H,5,13H2,1-2H3,(H,14,15)/t9-/m1/s1
InChIKeyZDXQFWPMVPQNOY-SECBINFHSA-N
MW211.24 g/mol
LogP1.40
Rot. Bonds3

About (2R)-2-amino-3-(4-fluoro-3,5-dimethylphenyl)propanoic acid

(2R)-2-amino-3-(4-fluoro-3,5-dimethylphenyl)propanoic acid (PubChem CID 93478162) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is (2R)-2-amino-3-(4-fluoro-3,5-dimethylphenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(4-fluoro-3,5-dimethylphenyl)propanoic acid
PubChem CID93478162
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name(2R)-2-amino-3-(4-fluoro-3,5-dimethylphenyl)propanoic acid
SMILESCc1cc(C[C@@H](N)C(=O)O)cc(C)c1F
InChIInChI=1S/C11H14FNO2/c1-6-3-8(4-7(2)10(6)12)5-9(13)11(14)15/h3-4,9H,5,13H2,1-2H3,(H,14,15)/t9-/m1/s1
InChIKeyZDXQFWPMVPQNOY-SECBINFHSA-N
XLogP1.40
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3-(4-fluoro-3-methylphenyl)propanoic acid;hydrochloride
CID 162344184
2-amino-3-(3,4-dihydroxy-5-methylphenyl)propanoic acid
CID 75089325
(2R)-2-amino-3-(3,4-dimethylphenyl)propanoic acid
CID 56845605
2-amino-3-(3-amino-4,5-difluorophenyl)propanoic acid
CID 117115180
2-amino-3-(4-fluoro-2,6-dimethylphenyl)propanoic acid
CID 170879455
[4-[(2S)-2-amino-2-carboxyethyl]-2,6-difluorophenyl](211At)astatine-211
CID 86279563
2-amino-3-(3,5-difluoro-4-methoxyphenyl)propanoic acid
CID 46737478
2-amino-3-(7-fluoro-1,3-dimethylindol-5-yl)propanoic acid
CID 115003704
2-amino-3-(3-cyano-4-hydroxy-5-methylphenyl)propanoic acid
CID 117313878
2-amino-3-(3-bromo-4-methoxy-5-methylphenyl)propanoic acid
CID 117464888
(2S)-2-amino-3-(3-amino-4-methylphenyl)propanoic acid
CID 55297813
(2S)-2-amino-3-(2,6-difluoro-3-methylphenyl)propanoic acid
CID 68718009

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(4-fluoro-3,5-dimethylphenyl)propanoic acid?
The IUPAC name of (2R)-2-amino-3-(4-fluoro-3,5-dimethylphenyl)propanoic acid (CID 93478162) is (2R)-2-amino-3-(4-fluoro-3,5-dimethylphenyl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(4-fluoro-3,5-dimethylphenyl)propanoic acid?
The canonical SMILES for (2R)-2-amino-3-(4-fluoro-3,5-dimethylphenyl)propanoic acid is Cc1cc(C[C@@H](N)C(=O)O)cc(C)c1F.
What is the InChIKey of (2R)-2-amino-3-(4-fluoro-3,5-dimethylphenyl)propanoic acid?
The InChIKey is ZDXQFWPMVPQNOY-SECBINFHSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-6-3-8(4-7(2)10(6)12)5-9(13)11(14)15/h3-4,9H,5,13H2,1-2H3,(H,14,15)/t9-/m1/s1.
What are the key properties of (2R)-2-amino-3-(4-fluoro-3,5-dimethylphenyl)propanoic acid?
(2R)-2-amino-3-(4-fluoro-3,5-dimethylphenyl)propanoic acid has a molecular weight of 211.24 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(4-fluoro-3,5-dimethylphenyl)propanoic acid is sourced from PubChem (CID 93478162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).