2-methoxyprop-2-enoic acid

C4H6O3 — CID 11007830

IUPAC2-methoxyprop-2-enoic acid
SMILESC=C(OC)C(=O)O
InChIInChI=1S/C4H6O3/c1-3(7-2)4(5)6/h1H2,2H3,(H,5,6)
InChIKeyLQAQMOIBXDELJX-UHFFFAOYSA-N
MW102.09 g/mol
LogP0.23
Rot. Bonds2

About 2-methoxyprop-2-enoic acid

2-methoxyprop-2-enoic acid (PubChem CID 11007830) has the molecular formula C4H6O3 and a molecular weight of 102.09 g/mol. Its IUPAC name is 2-methoxyprop-2-enoic acid.

Molecular Properties

Compound Name2-methoxyprop-2-enoic acid
PubChem CID11007830
Molecular FormulaC4H6O3
Molecular Weight102.09 g/mol
Exact Mass102.03
IUPAC Name2-methoxyprop-2-enoic acid
SMILESC=C(OC)C(=O)O
InChIInChI=1S/C4H6O3/c1-3(7-2)4(5)6/h1H2,2H3,(H,5,6)
InChIKeyLQAQMOIBXDELJX-UHFFFAOYSA-N
XLogP0.23
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.09
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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-methoxyprop-2-enoic acid?
The IUPAC name of 2-methoxyprop-2-enoic acid (CID 11007830) is 2-methoxyprop-2-enoic acid.
What is the SMILES notation for 2-methoxyprop-2-enoic acid?
The canonical SMILES for 2-methoxyprop-2-enoic acid is C=C(OC)C(=O)O.
What is the InChIKey of 2-methoxyprop-2-enoic acid?
The InChIKey is LQAQMOIBXDELJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O3/c1-3(7-2)4(5)6/h1H2,2H3,(H,5,6).
What are the key properties of 2-methoxyprop-2-enoic acid?
2-methoxyprop-2-enoic acid has a molecular weight of 102.09 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyprop-2-enoic acid is sourced from PubChem (CID 11007830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).