propyl (2S)-2-hydroxypropanoate

C6H12O3 — CID 2734942

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

About propyl (2S)-2-hydroxypropanoate

propyl (2S)-2-hydroxypropanoate (PubChem CID 2734942) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is propyl (2S)-2-hydroxypropanoate.

Molecular Properties

Compound Namepropyl (2S)-2-hydroxypropanoate
PubChem CID2734942
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Namepropyl (2S)-2-hydroxypropanoate
SMILESCCCOC(=O)[C@H](C)O
InChIInChI=1S/C6H12O3/c1-3-4-9-6(8)5(2)7/h5,7H,3-4H2,1-2H3/t5-/m0/s1
InChIKeyILVGAIQLOCKNQA-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 propyl (2S)-2-hydroxypropanoate 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 propyl (2S)-2-hydroxypropanoate?
The IUPAC name of propyl (2S)-2-hydroxypropanoate (CID 2734942) is propyl (2S)-2-hydroxypropanoate.
What is the SMILES notation for propyl (2S)-2-hydroxypropanoate?
The canonical SMILES for propyl (2S)-2-hydroxypropanoate is CCCOC(=O)[C@H](C)O.
What is the InChIKey of propyl (2S)-2-hydroxypropanoate?
The InChIKey is ILVGAIQLOCKNQA-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H12O3/c1-3-4-9-6(8)5(2)7/h5,7H,3-4H2,1-2H3/t5-/m0/s1.
What are the key properties of propyl (2S)-2-hydroxypropanoate?
propyl (2S)-2-hydroxypropanoate 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 propyl (2S)-2-hydroxypropanoate is sourced from PubChem (CID 2734942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).