3-hydroxy-2-methoxy-2-methylpropanoic acid

C5H10O4 — CID 58104777

IUPAC3-hydroxy-2-methoxy-2-methylpropanoic acid
SMILESCOC(C)(CO)C(=O)O
InChIInChI=1S/C5H10O4/c1-5(3-6,9-2)4(7)8/h6H,3H2,1-2H3,(H,7,8)
InChIKeyMRATYJKCJCIUCZ-UHFFFAOYSA-N
MW134.13 g/mol
LogP-0.53
Rot. Bonds3

About 3-hydroxy-2-methoxy-2-methylpropanoic acid

3-hydroxy-2-methoxy-2-methylpropanoic acid (PubChem CID 58104777) has the molecular formula C5H10O4 and a molecular weight of 134.13 g/mol. Its IUPAC name is 3-hydroxy-2-methoxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-methoxy-2-methylpropanoic acid
PubChem CID58104777
Molecular FormulaC5H10O4
Molecular Weight134.13 g/mol
Exact Mass134.06
IUPAC Name3-hydroxy-2-methoxy-2-methylpropanoic acid
SMILESCOC(C)(CO)C(=O)O
InChIInChI=1S/C5H10O4/c1-5(3-6,9-2)4(7)8/h6H,3H2,1-2H3,(H,7,8)
InChIKeyMRATYJKCJCIUCZ-UHFFFAOYSA-N
XLogP-0.53
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.13
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methoxy-2-methylpropanoic acid?
The IUPAC name of 3-hydroxy-2-methoxy-2-methylpropanoic acid (CID 58104777) is 3-hydroxy-2-methoxy-2-methylpropanoic acid.
What is the SMILES notation for 3-hydroxy-2-methoxy-2-methylpropanoic acid?
The canonical SMILES for 3-hydroxy-2-methoxy-2-methylpropanoic acid is COC(C)(CO)C(=O)O.
What is the InChIKey of 3-hydroxy-2-methoxy-2-methylpropanoic acid?
The InChIKey is MRATYJKCJCIUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O4/c1-5(3-6,9-2)4(7)8/h6H,3H2,1-2H3,(H,7,8).
What are the key properties of 3-hydroxy-2-methoxy-2-methylpropanoic acid?
3-hydroxy-2-methoxy-2-methylpropanoic acid has a molecular weight of 134.13 g/mol, XLogP of -0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methoxy-2-methylpropanoic acid is sourced from PubChem (CID 58104777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).