(2R,3S)-3-hydroxy-2-methylsulfanyl-3-phenylpropanoic acid

C10H12O3S — CID 10632330

IUPAC(2R,3S)-3-hydroxy-2-methylsulfanyl-3-phenylpropanoic acid
SMILESCS[C@@H](C(=O)O)[C@@H](O)c1ccccc1
InChIInChI=1S/C10H12O3S/c1-14-9(10(12)13)8(11)7-5-3-2-4-6-7/h2-6,8-9,11H,1H3,(H,12,13)/t8-,9+/m0/s1
InChIKeyOGXLCCOBPDZJNN-DTWKUNHWSA-N
MW212.27 g/mol
LogP1.54
Rot. Bonds4

About (2R,3S)-3-hydroxy-2-methylsulfanyl-3-phenylpropanoic acid

(2R,3S)-3-hydroxy-2-methylsulfanyl-3-phenylpropanoic acid (PubChem CID 10632330) has the molecular formula C10H12O3S and a molecular weight of 212.27 g/mol. Its IUPAC name is (2R,3S)-3-hydroxy-2-methylsulfanyl-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R,3S)-3-hydroxy-2-methylsulfanyl-3-phenylpropanoic acid
PubChem CID10632330
Molecular FormulaC10H12O3S
Molecular Weight212.27 g/mol
Exact Mass212.05
IUPAC Name(2R,3S)-3-hydroxy-2-methylsulfanyl-3-phenylpropanoic acid
SMILESCS[C@@H](C(=O)O)[C@@H](O)c1ccccc1
InChIInChI=1S/C10H12O3S/c1-14-9(10(12)13)8(11)7-5-3-2-4-6-7/h2-6,8-9,11H,1H3,(H,12,13)/t8-,9+/m0/s1
InChIKeyOGXLCCOBPDZJNN-DTWKUNHWSA-N
XLogP1.54
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-methylsulfanyl-3-phenylpropanoic acid
CID 12712064
1,2-diphenylethane-1,2-diol
CID 159073808
methyl (2R,3R)-3-hydroxy-3-phenyl-2-phenylsulfanylpropanoate
CID 10108177
azane;2-hydroxy-2-phenylacetic acid
CID 23617102
2-amino-3-hydroxy-3-phenylpropanoic acid
CID 66621998
(3S,4S)-3,4-dihydroxy-4-phenylbutan-2-one
CID 101138777
(2S,3S)-3-hydroxy-3-phenyl-2-trimethylsilylpropanoic acid
CID 10988339
1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol
CID 14066931
azane;(2R)-2-hydroxy-2-phenylacetic acid;hydrate
CID 70117102
(2R)-2-hydroxy-2-phenylacetic acid
CID 139040954
2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-2-hydroxyacetic acid
CID 11019130
(1R,2S)-2-methylsulfanyl-1-phenyl-3-[tri(propan-2-yl)silyloxymethyl]but-3-en-1-ol
CID 102523446

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-hydroxy-2-methylsulfanyl-3-phenylpropanoic acid?
The IUPAC name of (2R,3S)-3-hydroxy-2-methylsulfanyl-3-phenylpropanoic acid (CID 10632330) is (2R,3S)-3-hydroxy-2-methylsulfanyl-3-phenylpropanoic acid.
What is the SMILES notation for (2R,3S)-3-hydroxy-2-methylsulfanyl-3-phenylpropanoic acid?
The canonical SMILES for (2R,3S)-3-hydroxy-2-methylsulfanyl-3-phenylpropanoic acid is CS[C@@H](C(=O)O)[C@@H](O)c1ccccc1.
What is the InChIKey of (2R,3S)-3-hydroxy-2-methylsulfanyl-3-phenylpropanoic acid?
The InChIKey is OGXLCCOBPDZJNN-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H12O3S/c1-14-9(10(12)13)8(11)7-5-3-2-4-6-7/h2-6,8-9,11H,1H3,(H,12,13)/t8-,9+/m0/s1.
What are the key properties of (2R,3S)-3-hydroxy-2-methylsulfanyl-3-phenylpropanoic acid?
(2R,3S)-3-hydroxy-2-methylsulfanyl-3-phenylpropanoic acid has a molecular weight of 212.27 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-hydroxy-2-methylsulfanyl-3-phenylpropanoic acid is sourced from PubChem (CID 10632330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).