methyl 2-(hydroxymethyl)-3-methylbutanoate

C7H14O3 — CID 11062523

IUPACmethyl 2-(hydroxymethyl)-3-methylbutanoate
SMILESCOC(=O)C(CO)C(C)C
InChIInChI=1S/C7H14O3/c1-5(2)6(4-8)7(9)10-3/h5-6,8H,4H2,1-3H3
InChIKeyGPIVIPTZTRRTFH-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.42
Rot. Bonds3

About methyl 2-(hydroxymethyl)-3-methylbutanoate

methyl 2-(hydroxymethyl)-3-methylbutanoate (PubChem CID 11062523) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is methyl 2-(hydroxymethyl)-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-(hydroxymethyl)-3-methylbutanoate
PubChem CID11062523
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Namemethyl 2-(hydroxymethyl)-3-methylbutanoate
SMILESCOC(=O)C(CO)C(C)C
InChIInChI=1S/C7H14O3/c1-5(2)6(4-8)7(9)10-3/h5-6,8H,4H2,1-3H3
InChIKeyGPIVIPTZTRRTFH-UHFFFAOYSA-N
XLogP0.42
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 ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3,3-difluoro-2-(hydroxymethyl)propanoate
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methyl (2S)-5-methyl-2-propan-2-ylhexanoate
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(3S)-3-methoxycarbonyl-4-methylpentanoate
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(3R)-3-methoxycarbonyl-4-methylpentanoate
CID 7021600
methyl 3-methyl-2-(pyrrolidin-1-ylmethyl)butanoate
CID 117242456
dimethyl (2S,5S,7S)-4-bromo-5-hydroxy-2,7-di(propan-2-yl)octanedioate
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methyl 3-methyl-2-(piperidin-1-ylmethyl)butanoate
CID 117242458
methyl 5-methyl-6-oxo-2-propan-2-ylhexanoate
CID 56978723
methyl 2-propan-2-yltetradecanoate
CID 118450856
methyl 4-hydroperoxy-4,4-dihydroxy-2-propan-2-ylbutanoate
CID 23399208
methyl (2S)-2-amino-3-hydroxypropanoate
CID 2723731
methyl (2R)-2-benzyl-3-methylbutanoate
CID 59852467

Frequently Asked Questions

What is the IUPAC name of methyl 2-(hydroxymethyl)-3-methylbutanoate?
The IUPAC name of methyl 2-(hydroxymethyl)-3-methylbutanoate (CID 11062523) is methyl 2-(hydroxymethyl)-3-methylbutanoate.
What is the SMILES notation for methyl 2-(hydroxymethyl)-3-methylbutanoate?
The canonical SMILES for methyl 2-(hydroxymethyl)-3-methylbutanoate is COC(=O)C(CO)C(C)C.
What is the InChIKey of methyl 2-(hydroxymethyl)-3-methylbutanoate?
The InChIKey is GPIVIPTZTRRTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-5(2)6(4-8)7(9)10-3/h5-6,8H,4H2,1-3H3.
What are the key properties of methyl 2-(hydroxymethyl)-3-methylbutanoate?
methyl 2-(hydroxymethyl)-3-methylbutanoate has a molecular weight of 146.19 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(hydroxymethyl)-3-methylbutanoate is sourced from PubChem (CID 11062523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).