methyl (2R)-2-hydroxypentanoate

C6H12O3 — CID 11007946

IUPACmethyl (2R)-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-/m1/s1
InChIKeyQCZPJJIXHJSOMY-RXMQYKEDSA-N
MW132.16 g/mol
LogP0.32
Rot. Bonds3

About methyl (2R)-2-hydroxypentanoate

methyl (2R)-2-hydroxypentanoate (PubChem CID 11007946) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is methyl (2R)-2-hydroxypentanoate.

Molecular Properties

Compound Namemethyl (2R)-2-hydroxypentanoate
PubChem CID11007946
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Namemethyl (2R)-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-/m1/s1
InChIKeyQCZPJJIXHJSOMY-RXMQYKEDSA-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

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-hydroxypentanoate?
The IUPAC name of methyl (2R)-2-hydroxypentanoate (CID 11007946) is methyl (2R)-2-hydroxypentanoate.
What is the SMILES notation for methyl (2R)-2-hydroxypentanoate?
The canonical SMILES for methyl (2R)-2-hydroxypentanoate is CCC[C@@H](O)C(=O)OC.
What is the InChIKey of methyl (2R)-2-hydroxypentanoate?
The InChIKey is QCZPJJIXHJSOMY-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H12O3/c1-3-4-5(7)6(8)9-2/h5,7H,3-4H2,1-2H3/t5-/m1/s1.
What are the key properties of methyl (2R)-2-hydroxypentanoate?
methyl (2R)-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 (2R)-2-hydroxypentanoate is sourced from PubChem (CID 11007946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).