(2R,3S)-3-methyl-2-sulfanylpentanoic acid

C6H12O2S — CID 55302342

IUPAC(2R,3S)-3-methyl-2-sulfanylpentanoic acid
SMILESCC[C@H](C)[C@@H](S)C(=O)O
InChIInChI=1S/C6H12O2S/c1-3-4(2)5(9)6(7)8/h4-5,9H,3H2,1-2H3,(H,7,8)/t4-,5+/m0/s1
InChIKeyUOXBLRPSRFKZPW-CRCLSJGQSA-N
MW148.23 g/mol
LogP1.42
Rot. Bonds3

About (2R,3S)-3-methyl-2-sulfanylpentanoic acid

(2R,3S)-3-methyl-2-sulfanylpentanoic acid (PubChem CID 55302342) has the molecular formula C6H12O2S and a molecular weight of 148.23 g/mol. Its IUPAC name is (2R,3S)-3-methyl-2-sulfanylpentanoic acid.

Molecular Properties

Compound Name(2R,3S)-3-methyl-2-sulfanylpentanoic acid
PubChem CID55302342
Molecular FormulaC6H12O2S
Molecular Weight148.23 g/mol
Exact Mass148.06
IUPAC Name(2R,3S)-3-methyl-2-sulfanylpentanoic acid
SMILESCC[C@H](C)[C@@H](S)C(=O)O
InChIInChI=1S/C6H12O2S/c1-3-4(2)5(9)6(7)8/h4-5,9H,3H2,1-2H3,(H,7,8)/t4-,5+/m0/s1
InChIKeyUOXBLRPSRFKZPW-CRCLSJGQSA-N
XLogP1.42
TPSA37.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (2R,3S)-3-methyl-2-sulfanylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2R)-butan-2-yl]propanedioic acid
CID 51381327
(2R,3S,4S)-2-hydroxy-3,4-dimethylhexanoic acid
CID 89397021
2-amino-7-methyl-6-sulfanylnonanoic acid
CID 141416671
2-sulfanylbutanoic acid
CID 159730662
ethane;2-methylbutanoic acid
CID 87621166
methane;(2S)-2-methylbutanoic acid
CID 159302978
iron;2-methylbutanoic acid
CID 175205801
CID 88513173
CID 88513173
bis(2-methylbutanoic acid);nickel
CID 170549792
(2S,3S)-2-(15N)azanyl-3-methylpentanoic acid
CID 10678279
(2S,3S)-2-amino-3-(113C)methylpentanoic acid
CID 10606774
(2S,4S)-2,4-bis[(2S)-butan-2-yl]pentanedioic acid
CID 15070778

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-methyl-2-sulfanylpentanoic acid?
The IUPAC name of (2R,3S)-3-methyl-2-sulfanylpentanoic acid (CID 55302342) is (2R,3S)-3-methyl-2-sulfanylpentanoic acid.
What is the SMILES notation for (2R,3S)-3-methyl-2-sulfanylpentanoic acid?
The canonical SMILES for (2R,3S)-3-methyl-2-sulfanylpentanoic acid is CC[C@H](C)[C@@H](S)C(=O)O.
What is the InChIKey of (2R,3S)-3-methyl-2-sulfanylpentanoic acid?
The InChIKey is UOXBLRPSRFKZPW-CRCLSJGQSA-N. The full InChI is InChI=1S/C6H12O2S/c1-3-4(2)5(9)6(7)8/h4-5,9H,3H2,1-2H3,(H,7,8)/t4-,5+/m0/s1.
What are the key properties of (2R,3S)-3-methyl-2-sulfanylpentanoic acid?
(2R,3S)-3-methyl-2-sulfanylpentanoic acid has a molecular weight of 148.23 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-methyl-2-sulfanylpentanoic acid is sourced from PubChem (CID 55302342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).