ethyl (2S)-2-hydroxy-2-methylbutanoate

C7H14O3 — CID 76957913

IUPACethyl (2S)-2-hydroxy-2-methylbutanoate
SMILESCCOC(=O)[C@@](C)(O)CC
InChIInChI=1S/C7H14O3/c1-4-7(3,9)6(8)10-5-2/h9H,4-5H2,1-3H3/t7-/m0/s1
InChIKeyKIYWRWLZHQZKKD-ZETCQYMHSA-N
MW146.19 g/mol
LogP0.71
Rot. Bonds3

About ethyl (2S)-2-hydroxy-2-methylbutanoate

ethyl (2S)-2-hydroxy-2-methylbutanoate (PubChem CID 76957913) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is ethyl (2S)-2-hydroxy-2-methylbutanoate.

Molecular Properties

Compound Nameethyl (2S)-2-hydroxy-2-methylbutanoate
PubChem CID76957913
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Nameethyl (2S)-2-hydroxy-2-methylbutanoate
SMILESCCOC(=O)[C@@](C)(O)CC
InChIInChI=1S/C7H14O3/c1-4-7(3,9)6(8)10-5-2/h9H,4-5H2,1-3H3/t7-/m0/s1
InChIKeyKIYWRWLZHQZKKD-ZETCQYMHSA-N
XLogP0.71
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 ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-hydroxy-2-methylbutanoate?
The IUPAC name of ethyl (2S)-2-hydroxy-2-methylbutanoate (CID 76957913) is ethyl (2S)-2-hydroxy-2-methylbutanoate.
What is the SMILES notation for ethyl (2S)-2-hydroxy-2-methylbutanoate?
The canonical SMILES for ethyl (2S)-2-hydroxy-2-methylbutanoate is CCOC(=O)[C@@](C)(O)CC.
What is the InChIKey of ethyl (2S)-2-hydroxy-2-methylbutanoate?
The InChIKey is KIYWRWLZHQZKKD-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H14O3/c1-4-7(3,9)6(8)10-5-2/h9H,4-5H2,1-3H3/t7-/m0/s1.
What are the key properties of ethyl (2S)-2-hydroxy-2-methylbutanoate?
ethyl (2S)-2-hydroxy-2-methylbutanoate has a molecular weight of 146.19 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-hydroxy-2-methylbutanoate is sourced from PubChem (CID 76957913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).