(2R)-2-[(2S)-2-methyl-3-sulfanylpropanoyl]oxy-3-propan-2-ylsulfanylpropanoic acid

C10H18O4S2 — CID 10106997

IUPAC(2R)-2-[(2S)-2-methyl-3-sulfanylpropanoyl]oxy-3-propan-2-ylsulfanylpropanoic acid
SMILESCC(C)SC[C@H](OC(=O)[C@H](C)CS)C(=O)O
InChIInChI=1S/C10H18O4S2/c1-6(2)16-5-8(9(11)12)14-10(13)7(3)4-15/h6-8,15H,4-5H2,1-3H3,(H,11,12)/t7-,8+/m1/s1
InChIKeyOEOLMTMGVRNVJL-SFYZADRCSA-N
MW266.38 g/mol
LogP1.69
Rot. Bonds7

About (2R)-2-[(2S)-2-methyl-3-sulfanylpropanoyl]oxy-3-propan-2-ylsulfanylpropanoic acid

(2R)-2-[(2S)-2-methyl-3-sulfanylpropanoyl]oxy-3-propan-2-ylsulfanylpropanoic acid (PubChem CID 10106997) has the molecular formula C10H18O4S2 and a molecular weight of 266.38 g/mol. Its IUPAC name is (2R)-2-[(2S)-2-methyl-3-sulfanylpropanoyl]oxy-3-propan-2-ylsulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2S)-2-methyl-3-sulfanylpropanoyl]oxy-3-propan-2-ylsulfanylpropanoic acid
PubChem CID10106997
Molecular FormulaC10H18O4S2
Molecular Weight266.38 g/mol
Exact Mass266.06
IUPAC Name(2R)-2-[(2S)-2-methyl-3-sulfanylpropanoyl]oxy-3-propan-2-ylsulfanylpropanoic acid
SMILESCC(C)SC[C@H](OC(=O)[C@H](C)CS)C(=O)O
InChIInChI=1S/C10H18O4S2/c1-6(2)16-5-8(9(11)12)14-10(13)7(3)4-15/h6-8,15H,4-5H2,1-3H3,(H,11,12)/t7-,8+/m1/s1
InChIKeyOEOLMTMGVRNVJL-SFYZADRCSA-N
XLogP1.69
TPSA63.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R)-2-[(2S)-2-methyl-3-sulfanylpropanoyl]oxy-3-propan-2-ylsulfanylpropanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S)-2-methyl-3-sulfanylpropanoyl]oxy-3-propan-2-ylsulfanylpropanoic acid?
The IUPAC name of (2R)-2-[(2S)-2-methyl-3-sulfanylpropanoyl]oxy-3-propan-2-ylsulfanylpropanoic acid (CID 10106997) is (2R)-2-[(2S)-2-methyl-3-sulfanylpropanoyl]oxy-3-propan-2-ylsulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-[(2S)-2-methyl-3-sulfanylpropanoyl]oxy-3-propan-2-ylsulfanylpropanoic acid?
The canonical SMILES for (2R)-2-[(2S)-2-methyl-3-sulfanylpropanoyl]oxy-3-propan-2-ylsulfanylpropanoic acid is CC(C)SC[C@H](OC(=O)[C@H](C)CS)C(=O)O.
What is the InChIKey of (2R)-2-[(2S)-2-methyl-3-sulfanylpropanoyl]oxy-3-propan-2-ylsulfanylpropanoic acid?
The InChIKey is OEOLMTMGVRNVJL-SFYZADRCSA-N. The full InChI is InChI=1S/C10H18O4S2/c1-6(2)16-5-8(9(11)12)14-10(13)7(3)4-15/h6-8,15H,4-5H2,1-3H3,(H,11,12)/t7-,8+/m1/s1.
What are the key properties of (2R)-2-[(2S)-2-methyl-3-sulfanylpropanoyl]oxy-3-propan-2-ylsulfanylpropanoic acid?
(2R)-2-[(2S)-2-methyl-3-sulfanylpropanoyl]oxy-3-propan-2-ylsulfanylpropanoic acid has a molecular weight of 266.38 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S)-2-methyl-3-sulfanylpropanoyl]oxy-3-propan-2-ylsulfanylpropanoic acid is sourced from PubChem (CID 10106997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).