2-[(2,5-dioxooxolan-3-yl)methyl]prop-2-enoic acid

C8H8O5 — CID 19962280

IUPAC2-[(2,5-dioxooxolan-3-yl)methyl]prop-2-enoic acid
SMILESC=C(CC1CC(=O)OC1=O)C(=O)O
InChIInChI=1S/C8H8O5/c1-4(7(10)11)2-5-3-6(9)13-8(5)12/h5H,1-3H2,(H,10,11)
InChIKeyUEVGWPSNKRWXGC-UHFFFAOYSA-N
MW184.15 g/mol
LogP0.11
Rot. Bonds3

About 2-[(2,5-dioxooxolan-3-yl)methyl]prop-2-enoic acid

2-[(2,5-dioxooxolan-3-yl)methyl]prop-2-enoic acid (PubChem CID 19962280) has the molecular formula C8H8O5 and a molecular weight of 184.15 g/mol. Its IUPAC name is 2-[(2,5-dioxooxolan-3-yl)methyl]prop-2-enoic acid.

Molecular Properties

Compound Name2-[(2,5-dioxooxolan-3-yl)methyl]prop-2-enoic acid
PubChem CID19962280
Molecular FormulaC8H8O5
Molecular Weight184.15 g/mol
Exact Mass184.04
IUPAC Name2-[(2,5-dioxooxolan-3-yl)methyl]prop-2-enoic acid
SMILESC=C(CC1CC(=O)OC1=O)C(=O)O
InChIInChI=1S/C8H8O5/c1-4(7(10)11)2-5-3-6(9)13-8(5)12/h5H,1-3H2,(H,10,11)
InChIKeyUEVGWPSNKRWXGC-UHFFFAOYSA-N
XLogP0.11
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dioxooxolan-3-yl)methyl]prop-2-enoic acid?
The IUPAC name of 2-[(2,5-dioxooxolan-3-yl)methyl]prop-2-enoic acid (CID 19962280) is 2-[(2,5-dioxooxolan-3-yl)methyl]prop-2-enoic acid.
What is the SMILES notation for 2-[(2,5-dioxooxolan-3-yl)methyl]prop-2-enoic acid?
The canonical SMILES for 2-[(2,5-dioxooxolan-3-yl)methyl]prop-2-enoic acid is C=C(CC1CC(=O)OC1=O)C(=O)O.
What is the InChIKey of 2-[(2,5-dioxooxolan-3-yl)methyl]prop-2-enoic acid?
The InChIKey is UEVGWPSNKRWXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O5/c1-4(7(10)11)2-5-3-6(9)13-8(5)12/h5H,1-3H2,(H,10,11).
What are the key properties of 2-[(2,5-dioxooxolan-3-yl)methyl]prop-2-enoic acid?
2-[(2,5-dioxooxolan-3-yl)methyl]prop-2-enoic acid has a molecular weight of 184.15 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dioxooxolan-3-yl)methyl]prop-2-enoic acid is sourced from PubChem (CID 19962280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).