methyl (2S,3R)-2-hydroxy-3-methylpentanoate

C7H14O3 — CID 13262415

IUPACmethyl (2S,3R)-2-hydroxy-3-methylpentanoate
SMILESCC[C@@H](C)[C@H](O)C(=O)OC
InChIInChI=1S/C7H14O3/c1-4-5(2)6(8)7(9)10-3/h5-6,8H,4H2,1-3H3/t5-,6+/m1/s1
InChIKeyOQXGUAUSWWFHOM-RITPCOANSA-N
MW146.19 g/mol
LogP0.57
Rot. Bonds3

About methyl (2S,3R)-2-hydroxy-3-methylpentanoate

methyl (2S,3R)-2-hydroxy-3-methylpentanoate (PubChem CID 13262415) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is methyl (2S,3R)-2-hydroxy-3-methylpentanoate.

Molecular Properties

Compound Namemethyl (2S,3R)-2-hydroxy-3-methylpentanoate
PubChem CID13262415
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Namemethyl (2S,3R)-2-hydroxy-3-methylpentanoate
SMILESCC[C@@H](C)[C@H](O)C(=O)OC
InChIInChI=1S/C7H14O3/c1-4-5(2)6(8)7(9)10-3/h5-6,8H,4H2,1-3H3/t5-,6+/m1/s1
InChIKeyOQXGUAUSWWFHOM-RITPCOANSA-N
XLogP0.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R,3R)-2-hydroxy-3-methylpentanoate
CID 13262413
propan-2-yl (3R)-2-hydroxy-3-methylpentanoate
CID 174795059
silyl 2-hydroxy-3-methylpentanoate
CID 174467796
methyl 3-hydroxy-4-methyl-2-propan-2-ylhexanoate
CID 62397567
methyl (2S,3S)-3-methyl-2-propan-2-ylpentanoate
CID 59686053
methyl 2,4-dihydroxy-3-methyl-5-oxoheptanoate
CID 88863835
methyl 3-amino-2-hydroxybutanoate;hydrochloride
CID 135262653
ethane;methyl (2R)-2-methylbutanoate
CID 143689114
2-hydroxy-3-methyl-N-propan-2-ylpentanamide
CID 59882624
methyl (2R,3R)-3-amino-2,3-dihydroxypropanoate
CID 135210741
2-(2-hydroxy-3-methylpentanoyl)oxy-3-methylbutanoic acid
CID 57022822
methyl 5-ethyl-2-hydroxy-4-oxoheptanoate
CID 19688722

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3R)-2-hydroxy-3-methylpentanoate?
The IUPAC name of methyl (2S,3R)-2-hydroxy-3-methylpentanoate (CID 13262415) is methyl (2S,3R)-2-hydroxy-3-methylpentanoate.
What is the SMILES notation for methyl (2S,3R)-2-hydroxy-3-methylpentanoate?
The canonical SMILES for methyl (2S,3R)-2-hydroxy-3-methylpentanoate is CC[C@@H](C)[C@H](O)C(=O)OC.
What is the InChIKey of methyl (2S,3R)-2-hydroxy-3-methylpentanoate?
The InChIKey is OQXGUAUSWWFHOM-RITPCOANSA-N. The full InChI is InChI=1S/C7H14O3/c1-4-5(2)6(8)7(9)10-3/h5-6,8H,4H2,1-3H3/t5-,6+/m1/s1.
What are the key properties of methyl (2S,3R)-2-hydroxy-3-methylpentanoate?
methyl (2S,3R)-2-hydroxy-3-methylpentanoate has a molecular weight of 146.19 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3R)-2-hydroxy-3-methylpentanoate is sourced from PubChem (CID 13262415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).