4-(3-carboxy-2-hydroxypropanoyl)oxy-3-hydroxy-4-oxobutanoic acid;ethene

C10H14O9 — CID 87593463

IUPAC4-(3-carboxy-2-hydroxypropanoyl)oxy-3-hydroxy-4-oxobutanoic acid;ethene
SMILESC=C.O=C(O)CC(O)C(=O)OC(=O)C(O)CC(=O)O
InChIInChI=1S/C8H10O9.C2H4/c9-3(1-5(11)12)7(15)17-8(16)4(10)2-6(13)14;1-2/h3-4,9-10H,1-2H2,(H,11,12)(H,13,14);1-2H2
InChIKeyYQDWUAHWOCCCHU-UHFFFAOYSA-N
MW278.21 g/mol
LogP-1.47
Rot. Bonds6

About 4-(3-carboxy-2-hydroxypropanoyl)oxy-3-hydroxy-4-oxobutanoic acid;ethene

4-(3-carboxy-2-hydroxypropanoyl)oxy-3-hydroxy-4-oxobutanoic acid;ethene (PubChem CID 87593463) has the molecular formula C10H14O9 and a molecular weight of 278.21 g/mol. Its IUPAC name is 4-(3-carboxy-2-hydroxypropanoyl)oxy-3-hydroxy-4-oxobutanoic acid;ethene.

Molecular Properties

Compound Name4-(3-carboxy-2-hydroxypropanoyl)oxy-3-hydroxy-4-oxobutanoic acid;ethene
PubChem CID87593463
Molecular FormulaC10H14O9
Molecular Weight278.21 g/mol
Exact Mass278.06
IUPAC Name4-(3-carboxy-2-hydroxypropanoyl)oxy-3-hydroxy-4-oxobutanoic acid;ethene
SMILESC=C.O=C(O)CC(O)C(=O)OC(=O)C(O)CC(=O)O
InChIInChI=1S/C8H10O9.C2H4/c9-3(1-5(11)12)7(15)17-8(16)4(10)2-6(13)14;1-2/h3-4,9-10H,1-2H2,(H,11,12)(H,13,14);1-2H2
InChIKeyYQDWUAHWOCCCHU-UHFFFAOYSA-N
XLogP-1.47
TPSA158.43 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.21
LogP ≤ 5-1.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-acetyloxy-3-hydroxy-4-oxobutanoic acid
CID 22352104
3-hydroxy-4-(2-hydroxyacetyl)oxy-4-oxobutanoic acid
CID 175128503
4-(3-carboxy-2-prop-2-enoyloxypropanoyl)oxy-3-hydroxy-4-oxobutanoic acid
CID 88836060
cobalt;2-hydroxybutanedioic acid
CID 87544145
carbonic acid;2-hydroxybutanedioic acid
CID 160732172
2-hydroxybutanedioic acid;iron
CID 174146167
3-hydroxy-4-oxo-4-(2-sulfanylethoxy)butanoic acid
CID 174839836
(3S)-3-hydroxy-4-methylpent-4-enoic acid
CID 75481565
2-aminoacetic acid;2-hydroxybutanedioic acid
CID 87750134
2-hydroxybutanedioic acid;hydrate;hydrochloride
CID 172717640
azane;bismuthane;2-hydroxybutanedioic acid
CID 173447177
[(2S)-2,6-diaminohexanoyl] (2S)-2,6-diaminohexanoate;2-hydroxybutanedioic acid
CID 88735096

Frequently Asked Questions

What is the IUPAC name of 4-(3-carboxy-2-hydroxypropanoyl)oxy-3-hydroxy-4-oxobutanoic acid;ethene?
The IUPAC name of 4-(3-carboxy-2-hydroxypropanoyl)oxy-3-hydroxy-4-oxobutanoic acid;ethene (CID 87593463) is 4-(3-carboxy-2-hydroxypropanoyl)oxy-3-hydroxy-4-oxobutanoic acid;ethene.
What is the SMILES notation for 4-(3-carboxy-2-hydroxypropanoyl)oxy-3-hydroxy-4-oxobutanoic acid;ethene?
The canonical SMILES for 4-(3-carboxy-2-hydroxypropanoyl)oxy-3-hydroxy-4-oxobutanoic acid;ethene is C=C.O=C(O)CC(O)C(=O)OC(=O)C(O)CC(=O)O.
What is the InChIKey of 4-(3-carboxy-2-hydroxypropanoyl)oxy-3-hydroxy-4-oxobutanoic acid;ethene?
The InChIKey is YQDWUAHWOCCCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O9.C2H4/c9-3(1-5(11)12)7(15)17-8(16)4(10)2-6(13)14;1-2/h3-4,9-10H,1-2H2,(H,11,12)(H,13,14);1-2H2.
What are the key properties of 4-(3-carboxy-2-hydroxypropanoyl)oxy-3-hydroxy-4-oxobutanoic acid;ethene?
4-(3-carboxy-2-hydroxypropanoyl)oxy-3-hydroxy-4-oxobutanoic acid;ethene has a molecular weight of 278.21 g/mol, XLogP of -1.47, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-carboxy-2-hydroxypropanoyl)oxy-3-hydroxy-4-oxobutanoic acid;ethene is sourced from PubChem (CID 87593463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).