(2S)-2-hydroxy-3-methylsulfanylpropanoic acid

C4H8O3S — CID 59794223

IUPAC(2S)-2-hydroxy-3-methylsulfanylpropanoic acid
SMILESCSC[C@@H](O)C(=O)O
InChIInChI=1S/C4H8O3S/c1-8-2-3(5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1
InChIKeyOEFRJRLPHLHRLE-GSVOUGTGSA-N
MW136.17 g/mol
LogP-0.21
Rot. Bonds3

About (2S)-2-hydroxy-3-methylsulfanylpropanoic acid

(2S)-2-hydroxy-3-methylsulfanylpropanoic acid (PubChem CID 59794223) has the molecular formula C4H8O3S and a molecular weight of 136.17 g/mol. Its IUPAC name is (2S)-2-hydroxy-3-methylsulfanylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-3-methylsulfanylpropanoic acid
PubChem CID59794223
Molecular FormulaC4H8O3S
Molecular Weight136.17 g/mol
Exact Mass136.02
IUPAC Name(2S)-2-hydroxy-3-methylsulfanylpropanoic acid
SMILESCSC[C@@H](O)C(=O)O
InChIInChI=1S/C4H8O3S/c1-8-2-3(5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1
InChIKeyOEFRJRLPHLHRLE-GSVOUGTGSA-N
XLogP-0.21
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.17
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-[(2R)-2-carboxy-2-hydroxyethyl]sulfanyl-2-hydroxypropanoic acid
CID 90958132
2-hydroxy-4-methylsulfanylbutanoic acid;bis(nickel(2+))
CID 46207063
2-hydroxy-4-methylsulfanylbutanoic acid;manganese
CID 174627815
2,4-bis(methylsulfanylmethyl)-3-oxopentanedioic acid
CID 140982833
2-hydroxy-3-pentan-3-ylsulfanylpropanoic acid
CID 18965561
butanedioic acid;2-hydroxy-4-methylsulfanylbutanoic acid
CID 175175078
(2S)-2-hydroxy-3-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]propanoic acid
CID 107840060
2,3-bis(methylsulfanyl)propanoic acid
CID 88571784
4-chloro-2-hydroxypentanoic acid
CID 20550476
3-hydroxy-4-methylsulfanylbutanoic acid
CID 82771148
2-hydroxy-4-[(2-methylsulfanylacetyl)amino]butanoic acid
CID 107831703
(2R)-2-(methylamino)-3-methylsulfanylpropanoic acid
CID 5288874

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3-methylsulfanylpropanoic acid?
The IUPAC name of (2S)-2-hydroxy-3-methylsulfanylpropanoic acid (CID 59794223) is (2S)-2-hydroxy-3-methylsulfanylpropanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-3-methylsulfanylpropanoic acid?
The canonical SMILES for (2S)-2-hydroxy-3-methylsulfanylpropanoic acid is CSC[C@@H](O)C(=O)O.
What is the InChIKey of (2S)-2-hydroxy-3-methylsulfanylpropanoic acid?
The InChIKey is OEFRJRLPHLHRLE-GSVOUGTGSA-N. The full InChI is InChI=1S/C4H8O3S/c1-8-2-3(5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1.
What are the key properties of (2S)-2-hydroxy-3-methylsulfanylpropanoic acid?
(2S)-2-hydroxy-3-methylsulfanylpropanoic acid has a molecular weight of 136.17 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-3-methylsulfanylpropanoic acid is sourced from PubChem (CID 59794223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).