methyl (2S)-2-hydroxypentanoate

C6H12O3 — CID 13397318

IUPACmethyl (2S)-2-hydroxypentanoate
SMILESCCC[C@H](O)C(=O)OC
InChIInChI=1S/C6H12O3/c1-3-4-5(7)6(8)9-2/h5,7H,3-4H2,1-2H3/t5-/m0/s1
InChIKeyQCZPJJIXHJSOMY-YFKPBYRVSA-N
MW132.16 g/mol
LogP0.32
Rot. Bonds3

About methyl (2S)-2-hydroxypentanoate

methyl (2S)-2-hydroxypentanoate (PubChem CID 13397318) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is methyl (2S)-2-hydroxypentanoate.

Molecular Properties

Compound Namemethyl (2S)-2-hydroxypentanoate
PubChem CID13397318
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Namemethyl (2S)-2-hydroxypentanoate
SMILESCCC[C@H](O)C(=O)OC
InChIInChI=1S/C6H12O3/c1-3-4-5(7)6(8)9-2/h5,7H,3-4H2,1-2H3/t5-/m0/s1
InChIKeyQCZPJJIXHJSOMY-YFKPBYRVSA-N
XLogP0.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl (2S)-2-hydroxypentanoate 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 methyl (2S)-2-hydroxypentanoate?
The IUPAC name of methyl (2S)-2-hydroxypentanoate (CID 13397318) is methyl (2S)-2-hydroxypentanoate.
What is the SMILES notation for methyl (2S)-2-hydroxypentanoate?
The canonical SMILES for methyl (2S)-2-hydroxypentanoate is CCC[C@H](O)C(=O)OC.
What is the InChIKey of methyl (2S)-2-hydroxypentanoate?
The InChIKey is QCZPJJIXHJSOMY-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H12O3/c1-3-4-5(7)6(8)9-2/h5,7H,3-4H2,1-2H3/t5-/m0/s1.
What are the key properties of methyl (2S)-2-hydroxypentanoate?
methyl (2S)-2-hydroxypentanoate has a molecular weight of 132.16 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-hydroxypentanoate is sourced from PubChem (CID 13397318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).