2-prop-2-enoxypropanoic acid

C6H10O3 — CID 11228811

IUPAC2-prop-2-enoxypropanoic acid
SMILESC=CCOC(C)C(=O)O
InChIInChI=1S/C6H10O3/c1-3-4-9-5(2)6(7)8/h3,5H,1,4H2,2H3,(H,7,8)
InChIKeyNYNJMVZFPBGZPU-UHFFFAOYSA-N
MW130.14 g/mol
LogP0.66
Rot. Bonds4

About 2-prop-2-enoxypropanoic acid

2-prop-2-enoxypropanoic acid (PubChem CID 11228811) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is 2-prop-2-enoxypropanoic acid.

Molecular Properties

Compound Name2-prop-2-enoxypropanoic acid
PubChem CID11228811
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name2-prop-2-enoxypropanoic acid
SMILESC=CCOC(C)C(=O)O
InChIInChI=1S/C6H10O3/c1-3-4-9-5(2)6(7)8/h3,5H,1,4H2,2H3,(H,7,8)
InChIKeyNYNJMVZFPBGZPU-UHFFFAOYSA-N
XLogP0.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-prop-2-enoxypropanoic 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 2-prop-2-enoxypropanoic acid?
The IUPAC name of 2-prop-2-enoxypropanoic acid (CID 11228811) is 2-prop-2-enoxypropanoic acid.
What is the SMILES notation for 2-prop-2-enoxypropanoic acid?
The canonical SMILES for 2-prop-2-enoxypropanoic acid is C=CCOC(C)C(=O)O.
What is the InChIKey of 2-prop-2-enoxypropanoic acid?
The InChIKey is NYNJMVZFPBGZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c1-3-4-9-5(2)6(7)8/h3,5H,1,4H2,2H3,(H,7,8).
What are the key properties of 2-prop-2-enoxypropanoic acid?
2-prop-2-enoxypropanoic acid has a molecular weight of 130.14 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoxypropanoic acid is sourced from PubChem (CID 11228811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).