(2S)-2-amino-3-[3-(fluoromethyl)-4-methylphenyl]propanoic acid

C11H14FNO2 — CID 144937817

IUPAC(2S)-2-amino-3-[3-(fluoromethyl)-4-methylphenyl]propanoic acid
SMILESCc1ccc(C[C@H](N)C(=O)O)cc1CF
InChIInChI=1S/C11H14FNO2/c1-7-2-3-8(4-9(7)6-12)5-10(13)11(14)15/h2-4,10H,5-6,13H2,1H3,(H,14,15)/t10-/m0/s1
InChIKeyYENZARNFGAWLNP-JTQLQIEISA-N
MW211.24 g/mol
LogP1.42
Rot. Bonds4

About (2S)-2-amino-3-[3-(fluoromethyl)-4-methylphenyl]propanoic acid

(2S)-2-amino-3-[3-(fluoromethyl)-4-methylphenyl]propanoic acid (PubChem CID 144937817) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is (2S)-2-amino-3-[3-(fluoromethyl)-4-methylphenyl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[3-(fluoromethyl)-4-methylphenyl]propanoic acid
PubChem CID144937817
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name(2S)-2-amino-3-[3-(fluoromethyl)-4-methylphenyl]propanoic acid
SMILESCc1ccc(C[C@H](N)C(=O)O)cc1CF
InChIInChI=1S/C11H14FNO2/c1-7-2-3-8(4-9(7)6-12)5-10(13)11(14)15/h2-4,10H,5-6,13H2,1H3,(H,14,15)/t10-/m0/s1
InChIKeyYENZARNFGAWLNP-JTQLQIEISA-N
XLogP1.42
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-3-(3,4-dimethylphenyl)propanoic acid
CID 56845605
(2S)-2-amino-3-(3-amino-4-methylphenyl)propanoic acid
CID 55297813
(2S)-2-amino-3-(4-fluoro-3-methylphenyl)propanoic acid;hydrochloride
CID 162344184
2-amino-3-[3-(2-fluoroethyl)-4-hydroxyphenyl]propanoic acid
CID 90660840
2-amino-3-[3,4-bis(carboxymethyl)phenyl]propanoic acid;hydrochloride
CID 138399318
2-amino-3-(5-iodo-2-methylphenyl)propanoic acid
CID 130041752
(2R)-2-amino-3-(4-fluoro-3,5-dimethylphenyl)propanoic acid
CID 93478162
(2S)-2-amino-3-[4-hydroxy-3-(hydroxymethyl)phenyl]propanoic acid
CID 10081872
2-amino-3-(4-methylphenyl)propanoic acid;hydrobromide
CID 172898206
2-amino-3-[2-(fluoromethyl)phenyl]propanoic acid
CID 18439515
sodium;(2S)-2-amino-3-(4-methylphenyl)propanoic acid;hydroxide
CID 160538956
(2S)-2-amino-3-[4-[deuterio(fluoro)methyl]phenyl]propanoic acid
CID 139665343

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[3-(fluoromethyl)-4-methylphenyl]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[3-(fluoromethyl)-4-methylphenyl]propanoic acid (CID 144937817) is (2S)-2-amino-3-[3-(fluoromethyl)-4-methylphenyl]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[3-(fluoromethyl)-4-methylphenyl]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[3-(fluoromethyl)-4-methylphenyl]propanoic acid is Cc1ccc(C[C@H](N)C(=O)O)cc1CF.
What is the InChIKey of (2S)-2-amino-3-[3-(fluoromethyl)-4-methylphenyl]propanoic acid?
The InChIKey is YENZARNFGAWLNP-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14FNO2/c1-7-2-3-8(4-9(7)6-12)5-10(13)11(14)15/h2-4,10H,5-6,13H2,1H3,(H,14,15)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-3-[3-(fluoromethyl)-4-methylphenyl]propanoic acid?
(2S)-2-amino-3-[3-(fluoromethyl)-4-methylphenyl]propanoic acid has a molecular weight of 211.24 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[3-(fluoromethyl)-4-methylphenyl]propanoic acid is sourced from PubChem (CID 144937817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).