methyl 2-hydroxypentanoate

C6H12O3 — CID 543619

IUPACmethyl 2-hydroxypentanoate
SMILESCCCC(O)C(=O)OC
InChIInChI=1S/C6H12O3/c1-3-4-5(7)6(8)9-2/h5,7H,3-4H2,1-2H3
InChIKeyQCZPJJIXHJSOMY-UHFFFAOYSA-N
MW132.16 g/mol
LogP0.32
Rot. Bonds3

About methyl 2-hydroxypentanoate

methyl 2-hydroxypentanoate (PubChem CID 543619) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is methyl 2-hydroxypentanoate.

Molecular Properties

Compound Namemethyl 2-hydroxypentanoate
PubChem CID543619
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Namemethyl 2-hydroxypentanoate
SMILESCCCC(O)C(=O)OC
InChIInChI=1S/C6H12O3/c1-3-4-5(7)6(8)9-2/h5,7H,3-4H2,1-2H3
InChIKeyQCZPJJIXHJSOMY-UHFFFAOYSA-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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Related Compounds

methyl (2S)-2-hydroxyheptanoate
CID 71444954
methyl 4-bromo-2-hydroxybutanoate
CID 19019154
methyl 2-hydroxy-3-(pentan-2-ylamino)propanoate
CID 107886724
(4R)-4-hydroxy-5-methoxy-5-oxopentanoic acid
CID 92975324
methyl (2R)-2-hydroxy-5-oxo-5-(propylamino)pentanoate
CID 170372518
methyl 2-aminopentanoate
CID 533890
methyl (2R,3R)-3-hydroxy-2-methylhexanoate
CID 12755434
tert-butyl (2R)-2-hydroxypentanoate
CID 90988150
methyl (2S,3R)-3-amino-2-hydroxyhexanoate
CID 56605369
methyl 5-chloro-2-hydroxypentanoate
CID 55302399
methyl (2R)-2-methoxypentanoate
CID 30403288
methyl (3S)-3-amino-2-hydroxyhexanoate;hydrochloride
CID 90189651

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxypentanoate?
The IUPAC name of methyl 2-hydroxypentanoate (CID 543619) is methyl 2-hydroxypentanoate.
What is the SMILES notation for methyl 2-hydroxypentanoate?
The canonical SMILES for methyl 2-hydroxypentanoate is CCCC(O)C(=O)OC.
What is the InChIKey of methyl 2-hydroxypentanoate?
The InChIKey is QCZPJJIXHJSOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3/c1-3-4-5(7)6(8)9-2/h5,7H,3-4H2,1-2H3.
What are the key properties of methyl 2-hydroxypentanoate?
methyl 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 2-hydroxypentanoate is sourced from PubChem (CID 543619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).