(2S)-3-acetyloxy-2-methylpropanoic acid

C6H10O4 — CID 11252086

IUPAC(2S)-3-acetyloxy-2-methylpropanoic acid
SMILESCC(=O)OC[C@H](C)C(=O)O
InChIInChI=1S/C6H10O4/c1-4(6(8)9)3-10-5(2)7/h4H,3H2,1-2H3,(H,8,9)/t4-/m0/s1
InChIKeyMQLMCMRCMGKYFQ-BYPYZUCNSA-N
MW146.14 g/mol
LogP0.27
Rot. Bonds3

About (2S)-3-acetyloxy-2-methylpropanoic acid

(2S)-3-acetyloxy-2-methylpropanoic acid (PubChem CID 11252086) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is (2S)-3-acetyloxy-2-methylpropanoic acid.

Molecular Properties

Compound Name(2S)-3-acetyloxy-2-methylpropanoic acid
PubChem CID11252086
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name(2S)-3-acetyloxy-2-methylpropanoic acid
SMILESCC(=O)OC[C@H](C)C(=O)O
InChIInChI=1S/C6H10O4/c1-4(6(8)9)3-10-5(2)7/h4H,3H2,1-2H3,(H,8,9)/t4-/m0/s1
InChIKeyMQLMCMRCMGKYFQ-BYPYZUCNSA-N
XLogP0.27
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-3-acetyloxy-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-3-acetyloxy-2-methylpropanoic acid?
The IUPAC name of (2S)-3-acetyloxy-2-methylpropanoic acid (CID 11252086) is (2S)-3-acetyloxy-2-methylpropanoic acid.
What is the SMILES notation for (2S)-3-acetyloxy-2-methylpropanoic acid?
The canonical SMILES for (2S)-3-acetyloxy-2-methylpropanoic acid is CC(=O)OC[C@H](C)C(=O)O.
What is the InChIKey of (2S)-3-acetyloxy-2-methylpropanoic acid?
The InChIKey is MQLMCMRCMGKYFQ-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H10O4/c1-4(6(8)9)3-10-5(2)7/h4H,3H2,1-2H3,(H,8,9)/t4-/m0/s1.
What are the key properties of (2S)-3-acetyloxy-2-methylpropanoic acid?
(2S)-3-acetyloxy-2-methylpropanoic acid has a molecular weight of 146.14 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-acetyloxy-2-methylpropanoic acid is sourced from PubChem (CID 11252086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).