2-methylidene-4-(2-oxo-1,3-dioxolan-4-yl)butanoic acid

C8H10O5 — CID 68582123

IUPAC2-methylidene-4-(2-oxo-1,3-dioxolan-4-yl)butanoic acid
SMILESC=C(CCC1COC(=O)O1)C(=O)O
InChIInChI=1S/C8H10O5/c1-5(7(9)10)2-3-6-4-12-8(11)13-6/h6H,1-4H2,(H,9,10)
InChIKeySWKHISDMKYCULL-UHFFFAOYSA-N
MW186.16 g/mol
LogP0.94
Rot. Bonds4

About 2-methylidene-4-(2-oxo-1,3-dioxolan-4-yl)butanoic acid

2-methylidene-4-(2-oxo-1,3-dioxolan-4-yl)butanoic acid (PubChem CID 68582123) has the molecular formula C8H10O5 and a molecular weight of 186.16 g/mol. Its IUPAC name is 2-methylidene-4-(2-oxo-1,3-dioxolan-4-yl)butanoic acid.

Molecular Properties

Compound Name2-methylidene-4-(2-oxo-1,3-dioxolan-4-yl)butanoic acid
PubChem CID68582123
Molecular FormulaC8H10O5
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Name2-methylidene-4-(2-oxo-1,3-dioxolan-4-yl)butanoic acid
SMILESC=C(CCC1COC(=O)O1)C(=O)O
InChIInChI=1S/C8H10O5/c1-5(7(9)10)2-3-6-4-12-8(11)13-6/h6H,1-4H2,(H,9,10)
InChIKeySWKHISDMKYCULL-UHFFFAOYSA-N
XLogP0.94
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-methylidene-4-(2-oxo-1,3-dioxolan-4-yl)butanoic 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-methylidene-4-(2-oxo-1,3-dioxolan-4-yl)butanoic acid?
The IUPAC name of 2-methylidene-4-(2-oxo-1,3-dioxolan-4-yl)butanoic acid (CID 68582123) is 2-methylidene-4-(2-oxo-1,3-dioxolan-4-yl)butanoic acid.
What is the SMILES notation for 2-methylidene-4-(2-oxo-1,3-dioxolan-4-yl)butanoic acid?
The canonical SMILES for 2-methylidene-4-(2-oxo-1,3-dioxolan-4-yl)butanoic acid is C=C(CCC1COC(=O)O1)C(=O)O.
What is the InChIKey of 2-methylidene-4-(2-oxo-1,3-dioxolan-4-yl)butanoic acid?
The InChIKey is SWKHISDMKYCULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O5/c1-5(7(9)10)2-3-6-4-12-8(11)13-6/h6H,1-4H2,(H,9,10).
What are the key properties of 2-methylidene-4-(2-oxo-1,3-dioxolan-4-yl)butanoic acid?
2-methylidene-4-(2-oxo-1,3-dioxolan-4-yl)butanoic acid has a molecular weight of 186.16 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-4-(2-oxo-1,3-dioxolan-4-yl)butanoic acid is sourced from PubChem (CID 68582123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).