methyl 2-hydroxybutanoate

C5H10O3 — CID 520445

IUPACmethyl 2-hydroxybutanoate
SMILESCCC(O)C(=O)OC
InChIInChI=1S/C5H10O3/c1-3-4(6)5(7)8-2/h4,6H,3H2,1-2H3
InChIKeyDDMCDMDOHABRHD-UHFFFAOYSA-N
MW118.13 g/mol
LogP-0.07
Rot. Bonds2

About methyl 2-hydroxybutanoate

methyl 2-hydroxybutanoate (PubChem CID 520445) has the molecular formula C5H10O3 and a molecular weight of 118.13 g/mol. Its IUPAC name is methyl 2-hydroxybutanoate.

Molecular Properties

Compound Namemethyl 2-hydroxybutanoate
PubChem CID520445
Molecular FormulaC5H10O3
Molecular Weight118.13 g/mol
Exact Mass118.06
IUPAC Namemethyl 2-hydroxybutanoate
SMILESCCC(O)C(=O)OC
InChIInChI=1S/C5H10O3/c1-3-4(6)5(7)8-2/h4,6H,3H2,1-2H3
InChIKeyDDMCDMDOHABRHD-UHFFFAOYSA-N
XLogP-0.07
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.13
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxybutanoate?
The IUPAC name of methyl 2-hydroxybutanoate (CID 520445) is methyl 2-hydroxybutanoate.
What is the SMILES notation for methyl 2-hydroxybutanoate?
The canonical SMILES for methyl 2-hydroxybutanoate is CCC(O)C(=O)OC.
What is the InChIKey of methyl 2-hydroxybutanoate?
The InChIKey is DDMCDMDOHABRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3/c1-3-4(6)5(7)8-2/h4,6H,3H2,1-2H3.
What are the key properties of methyl 2-hydroxybutanoate?
methyl 2-hydroxybutanoate has a molecular weight of 118.13 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxybutanoate is sourced from PubChem (CID 520445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).