2-(2-methylprop-2-enoyloxy)acetic acid

C6H8O4 — CID 13060939

IUPAC2-(2-methylprop-2-enoyloxy)acetic acid
SMILESC=C(C)C(=O)OCC(=O)O
InChIInChI=1S/C6H8O4/c1-4(2)6(9)10-3-5(7)8/h1,3H2,2H3,(H,7,8)
InChIKeyFPCPOLLWTJARLO-UHFFFAOYSA-N
MW144.13 g/mol
LogP0.19
Rot. Bonds3

About 2-(2-methylprop-2-enoyloxy)acetic acid

2-(2-methylprop-2-enoyloxy)acetic acid (PubChem CID 13060939) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoyloxy)acetic acid.

Molecular Properties

Compound Name2-(2-methylprop-2-enoyloxy)acetic acid
PubChem CID13060939
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Name2-(2-methylprop-2-enoyloxy)acetic acid
SMILESC=C(C)C(=O)OCC(=O)O
InChIInChI=1S/C6H8O4/c1-4(2)6(9)10-3-5(7)8/h1,3H2,2H3,(H,7,8)
InChIKeyFPCPOLLWTJARLO-UHFFFAOYSA-N
XLogP0.19
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-methylprop-2-enoyloxy)acetic acid?
The IUPAC name of 2-(2-methylprop-2-enoyloxy)acetic acid (CID 13060939) is 2-(2-methylprop-2-enoyloxy)acetic acid.
What is the SMILES notation for 2-(2-methylprop-2-enoyloxy)acetic acid?
The canonical SMILES for 2-(2-methylprop-2-enoyloxy)acetic acid is C=C(C)C(=O)OCC(=O)O.
What is the InChIKey of 2-(2-methylprop-2-enoyloxy)acetic acid?
The InChIKey is FPCPOLLWTJARLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O4/c1-4(2)6(9)10-3-5(7)8/h1,3H2,2H3,(H,7,8).
What are the key properties of 2-(2-methylprop-2-enoyloxy)acetic acid?
2-(2-methylprop-2-enoyloxy)acetic acid has a molecular weight of 144.13 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoyloxy)acetic acid is sourced from PubChem (CID 13060939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).