(2R)-2-amino-2-(3-methylsulfanylphenyl)propanoic acid

C10H13NO2S — CID 130721988

IUPAC(2R)-2-amino-2-(3-methylsulfanylphenyl)propanoic acid
SMILESCSc1cccc([C@@](C)(N)C(=O)O)c1
InChIInChI=1S/C10H13NO2S/c1-10(11,9(12)13)7-4-3-5-8(6-7)14-2/h3-6H,11H2,1-2H3,(H,12,13)/t10-/m1/s1
InChIKeyFFIWZMMGZULHDF-SNVBAGLBSA-N
MW211.29 g/mol
LogP1.67
Rot. Bonds3

About (2R)-2-amino-2-(3-methylsulfanylphenyl)propanoic acid

(2R)-2-amino-2-(3-methylsulfanylphenyl)propanoic acid (PubChem CID 130721988) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is (2R)-2-amino-2-(3-methylsulfanylphenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-(3-methylsulfanylphenyl)propanoic acid
PubChem CID130721988
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name(2R)-2-amino-2-(3-methylsulfanylphenyl)propanoic acid
SMILESCSc1cccc([C@@](C)(N)C(=O)O)c1
InChIInChI=1S/C10H13NO2S/c1-10(11,9(12)13)7-4-3-5-8(6-7)14-2/h3-6H,11H2,1-2H3,(H,12,13)/t10-/m1/s1
InChIKeyFFIWZMMGZULHDF-SNVBAGLBSA-N
XLogP1.67
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(3-methoxyphenyl)propanoic acid
CID 4018837
(2S)-2-amino-2-[3-(carboxymethyl)phenyl]propanoic acid
CID 6604768
(2R)-2-amino-2-[3-(3-chlorophenyl)phenyl]propanoic acid
CID 165352758
2-amino-2-(3,4-dimethylphenyl)propanoic acid
CID 24711823
(2R)-2-amino-2-anthracen-2-ylpropanoic acid
CID 100968375
(2S)-2-(3-methylsulfanylphenyl)pentan-2-ol
CID 97294313
2-amino-2-(3-fluoro-4-hydroxyphenyl)propanoic acid
CID 55272926
(2R)-2-amino-2-pyren-2-ylpropanoic acid
CID 100968377
2-amino-2-(4-fluoro-3-methylphenyl)propanoic acid;hydrochloride
CID 82129155
(2R)-2-amino-2-(3,5-difluorophenyl)propanoic acid
CID 91290117
(2R)-2-amino-2-(3-phenylmethoxyphenyl)propanoic acid
CID 7345316
2-bromo-2-(3-fluorophenyl)propanoic acid
CID 67757500

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(3-methylsulfanylphenyl)propanoic acid?
The IUPAC name of (2R)-2-amino-2-(3-methylsulfanylphenyl)propanoic acid (CID 130721988) is (2R)-2-amino-2-(3-methylsulfanylphenyl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-2-(3-methylsulfanylphenyl)propanoic acid?
The canonical SMILES for (2R)-2-amino-2-(3-methylsulfanylphenyl)propanoic acid is CSc1cccc([C@@](C)(N)C(=O)O)c1.
What is the InChIKey of (2R)-2-amino-2-(3-methylsulfanylphenyl)propanoic acid?
The InChIKey is FFIWZMMGZULHDF-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-10(11,9(12)13)7-4-3-5-8(6-7)14-2/h3-6H,11H2,1-2H3,(H,12,13)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-2-(3-methylsulfanylphenyl)propanoic acid?
(2R)-2-amino-2-(3-methylsulfanylphenyl)propanoic acid has a molecular weight of 211.29 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(3-methylsulfanylphenyl)propanoic acid is sourced from PubChem (CID 130721988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).