2,3-dimethoxypropanoic acid

C5H10O4 — CID 11217278

IUPAC2,3-dimethoxypropanoic acid
SMILESCOCC(OC)C(=O)O
InChIInChI=1S/C5H10O4/c1-8-3-4(9-2)5(6)7/h4H,3H2,1-2H3,(H,6,7)
InChIKeyIVAUAKVFUIMSEI-UHFFFAOYSA-N
MW134.13 g/mol
LogP-0.27
Rot. Bonds4

About 2,3-dimethoxypropanoic acid

2,3-dimethoxypropanoic acid (PubChem CID 11217278) has the molecular formula C5H10O4 and a molecular weight of 134.13 g/mol. Its IUPAC name is 2,3-dimethoxypropanoic acid.

Molecular Properties

Compound Name2,3-dimethoxypropanoic acid
PubChem CID11217278
Molecular FormulaC5H10O4
Molecular Weight134.13 g/mol
Exact Mass134.06
IUPAC Name2,3-dimethoxypropanoic acid
SMILESCOCC(OC)C(=O)O
InChIInChI=1S/C5H10O4/c1-8-3-4(9-2)5(6)7/h4H,3H2,1-2H3,(H,6,7)
InChIKeyIVAUAKVFUIMSEI-UHFFFAOYSA-N
XLogP-0.27
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.13
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxypropanoic acid?
The IUPAC name of 2,3-dimethoxypropanoic acid (CID 11217278) is 2,3-dimethoxypropanoic acid.
What is the SMILES notation for 2,3-dimethoxypropanoic acid?
The canonical SMILES for 2,3-dimethoxypropanoic acid is COCC(OC)C(=O)O.
What is the InChIKey of 2,3-dimethoxypropanoic acid?
The InChIKey is IVAUAKVFUIMSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O4/c1-8-3-4(9-2)5(6)7/h4H,3H2,1-2H3,(H,6,7).
What are the key properties of 2,3-dimethoxypropanoic acid?
2,3-dimethoxypropanoic acid has a molecular weight of 134.13 g/mol, XLogP of -0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxypropanoic acid is sourced from PubChem (CID 11217278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).