4-ethenoxy-2-hydroxy-4-oxobutanoic acid

C6H8O5 — CID 123885339

IUPAC4-ethenoxy-2-hydroxy-4-oxobutanoic acid
SMILESC=COC(=O)CC(O)C(=O)O
InChIInChI=1S/C6H8O5/c1-2-11-5(8)3-4(7)6(9)10/h2,4,7H,1,3H2,(H,9,10)
InChIKeyFYSWWGKDVHAOLE-UHFFFAOYSA-N
MW160.12 g/mol
LogP-0.49
Rot. Bonds4

About 4-ethenoxy-2-hydroxy-4-oxobutanoic acid

4-ethenoxy-2-hydroxy-4-oxobutanoic acid (PubChem CID 123885339) has the molecular formula C6H8O5 and a molecular weight of 160.12 g/mol. Its IUPAC name is 4-ethenoxy-2-hydroxy-4-oxobutanoic acid.

Molecular Properties

Compound Name4-ethenoxy-2-hydroxy-4-oxobutanoic acid
PubChem CID123885339
Molecular FormulaC6H8O5
Molecular Weight160.12 g/mol
Exact Mass160.04
IUPAC Name4-ethenoxy-2-hydroxy-4-oxobutanoic acid
SMILESC=COC(=O)CC(O)C(=O)O
InChIInChI=1S/C6H8O5/c1-2-11-5(8)3-4(7)6(9)10/h2,4,7H,1,3H2,(H,9,10)
InChIKeyFYSWWGKDVHAOLE-UHFFFAOYSA-N
XLogP-0.49
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.12
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-(diaminomethylideneamino)-4-ethenoxy-4-oxobutanoic acid
CID 174359279
4-[2,2-bis(prop-2-enoxymethyl)butoxy]-2-hydroxy-4-oxobutanoic acid
CID 90473270
2-hydroxybutanedioic acid;prop-2-en-1-ol
CID 90283079
4-[(Z)-3-carboxyprop-2-enoyl]oxy-2-hydroxy-4-oxobutanoic acid
CID 174439023
4-acetylperoxy-2-hydroxy-4-oxobutanoic acid
CID 141191892
ethenyl (3R)-3-phenylbutanoate
CID 10487918
2-hydroxybutanedioic acid;methyl prop-2-enoate
CID 174899831
bis(ethenyl) hexanedioate
CID 19997
4-(carbamoylamino)oxy-2-hydroxy-4-oxobutanoic acid
CID 174948995
acetic acid;4-[4-(3-carboxy-3-hydroxypropanoyl)oxy-4-oxobutanoyl]oxy-2-hydroxy-4-oxobutanoic acid
CID 174459196
ethenyl 4-ethenyl-3-ethyl-4-hydroxyhex-5-enoate
CID 139796443
2-hydroxybutanedioic acid;iron
CID 174146167

Frequently Asked Questions

What is the IUPAC name of 4-ethenoxy-2-hydroxy-4-oxobutanoic acid?
The IUPAC name of 4-ethenoxy-2-hydroxy-4-oxobutanoic acid (CID 123885339) is 4-ethenoxy-2-hydroxy-4-oxobutanoic acid.
What is the SMILES notation for 4-ethenoxy-2-hydroxy-4-oxobutanoic acid?
The canonical SMILES for 4-ethenoxy-2-hydroxy-4-oxobutanoic acid is C=COC(=O)CC(O)C(=O)O.
What is the InChIKey of 4-ethenoxy-2-hydroxy-4-oxobutanoic acid?
The InChIKey is FYSWWGKDVHAOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O5/c1-2-11-5(8)3-4(7)6(9)10/h2,4,7H,1,3H2,(H,9,10).
What are the key properties of 4-ethenoxy-2-hydroxy-4-oxobutanoic acid?
4-ethenoxy-2-hydroxy-4-oxobutanoic acid has a molecular weight of 160.12 g/mol, XLogP of -0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenoxy-2-hydroxy-4-oxobutanoic acid is sourced from PubChem (CID 123885339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).