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

C8H10O5 — CID 22101666

IUPAC2-methylidene-3-(2-oxo-1,3-dioxolan-4-yl)butanoic acid
SMILESC=C(C(=O)O)C(C)C1COC(=O)O1
InChIInChI=1S/C8H10O5/c1-4(5(2)7(9)10)6-3-12-8(11)13-6/h4,6H,2-3H2,1H3,(H,9,10)
InChIKeyWDZXSFHJSORVPP-UHFFFAOYSA-N
MW186.16 g/mol
LogP0.80
Rot. Bonds3

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

2-methylidene-3-(2-oxo-1,3-dioxolan-4-yl)butanoic acid (PubChem CID 22101666) has the molecular formula C8H10O5 and a molecular weight of 186.16 g/mol. Its IUPAC name is 2-methylidene-3-(2-oxo-1,3-dioxolan-4-yl)butanoic acid.

Molecular Properties

Compound Name2-methylidene-3-(2-oxo-1,3-dioxolan-4-yl)butanoic acid
PubChem CID22101666
Molecular FormulaC8H10O5
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Name2-methylidene-3-(2-oxo-1,3-dioxolan-4-yl)butanoic acid
SMILESC=C(C(=O)O)C(C)C1COC(=O)O1
InChIInChI=1S/C8H10O5/c1-4(5(2)7(9)10)6-3-12-8(11)13-6/h4,6H,2-3H2,1H3,(H,9,10)
InChIKeyWDZXSFHJSORVPP-UHFFFAOYSA-N
XLogP0.80
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-3-(2-oxo-1,3-dioxolan-4-yl)butanoic acid?
The IUPAC name of 2-methylidene-3-(2-oxo-1,3-dioxolan-4-yl)butanoic acid (CID 22101666) is 2-methylidene-3-(2-oxo-1,3-dioxolan-4-yl)butanoic acid.
What is the SMILES notation for 2-methylidene-3-(2-oxo-1,3-dioxolan-4-yl)butanoic acid?
The canonical SMILES for 2-methylidene-3-(2-oxo-1,3-dioxolan-4-yl)butanoic acid is C=C(C(=O)O)C(C)C1COC(=O)O1.
What is the InChIKey of 2-methylidene-3-(2-oxo-1,3-dioxolan-4-yl)butanoic acid?
The InChIKey is WDZXSFHJSORVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O5/c1-4(5(2)7(9)10)6-3-12-8(11)13-6/h4,6H,2-3H2,1H3,(H,9,10).
What are the key properties of 2-methylidene-3-(2-oxo-1,3-dioxolan-4-yl)butanoic acid?
2-methylidene-3-(2-oxo-1,3-dioxolan-4-yl)butanoic acid has a molecular weight of 186.16 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-3-(2-oxo-1,3-dioxolan-4-yl)butanoic acid is sourced from PubChem (CID 22101666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).