2-hydroxy-2-[2-oxo-2-(2-prop-1-enoxyethoxy)ethyl]butanedioic acid

C11H16O8 — CID 152549811

IUPAC2-hydroxy-2-[2-oxo-2-(2-prop-1-enoxyethoxy)ethyl]butanedioic acid
SMILESCC=COCCOC(=O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C11H16O8/c1-2-3-18-4-5-19-9(14)7-11(17,10(15)16)6-8(12)13/h2-3,17H,4-7H2,1H3,(H,12,13)(H,15,16)
InChIKeyYNGFJUNXJDDLHU-UHFFFAOYSA-N
MW276.24 g/mol
LogP-0.24
Rot. Bonds9

About 2-hydroxy-2-[2-oxo-2-(2-prop-1-enoxyethoxy)ethyl]butanedioic acid

2-hydroxy-2-[2-oxo-2-(2-prop-1-enoxyethoxy)ethyl]butanedioic acid (PubChem CID 152549811) has the molecular formula C11H16O8 and a molecular weight of 276.24 g/mol. Its IUPAC name is 2-hydroxy-2-[2-oxo-2-(2-prop-1-enoxyethoxy)ethyl]butanedioic acid.

Molecular Properties

Compound Name2-hydroxy-2-[2-oxo-2-(2-prop-1-enoxyethoxy)ethyl]butanedioic acid
PubChem CID152549811
Molecular FormulaC11H16O8
Molecular Weight276.24 g/mol
Exact Mass276.08
IUPAC Name2-hydroxy-2-[2-oxo-2-(2-prop-1-enoxyethoxy)ethyl]butanedioic acid
SMILESCC=COCCOC(=O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C11H16O8/c1-2-3-18-4-5-19-9(14)7-11(17,10(15)16)6-8(12)13/h2-3,17H,4-7H2,1H3,(H,12,13)(H,15,16)
InChIKeyYNGFJUNXJDDLHU-UHFFFAOYSA-N
XLogP-0.24
TPSA130.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[4-(3,4-dicarboxy-3-hydroxybutanoyl)oxybutoxy]-2-oxoethyl]-2-hydroxybutanedioic acid
CID 87105264
2-[2-[8-(3,4-dicarboxy-3-hydroxybutanoyl)oxyoctoxy]-2-oxoethyl]-2-hydroxybutanedioic acid
CID 87104965
azane;2-hydroxy-2-[2-(2-hydroxyethoxy)-2-oxoethyl]butanedioic acid
CID 175234551
2-(2-ethoxy-2-oxoethyl)-2-hydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 87647310
2-hydroxy-2-[2-[2-(2-hydroxyethoxy)ethoxy]-2-oxoethyl]butanedioic acid
CID 87530367
2-(3,4-dicarboxy-3-hydroxybutanoyl)oxyethyl-trimethylazanium;iron
CID 174882172
2-hydroxy-2-[2-(3-hydroxypropoxy)-2-oxoethyl]butanedioic acid
CID 54268654
2-(2-hexacosoxy-2-oxoethyl)-2-hydroxybutanedioic acid
CID 175138993
2-hydroxy-2-(2-oxo-2-tetracosoxyethyl)butanedioic acid
CID 175141883
2-(3,4-dicarboxy-3-hydroxybutanoyl)oxyethyl-trimethylazanium;chloride;hydrate
CID 174215477
2-[2-[2-[3-(carboxymethyl)-3-hydroxy-4-(2-hydroxyethoxy)-4-oxobutanoyl]oxyethoxy]-2-oxoethyl]-2-hydroxybutanedioic acid
CID 166905224
ethane;2-(2-ethoxy-2-oxoethyl)-2-hydroxybutanedioic acid
CID 173074280

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[2-oxo-2-(2-prop-1-enoxyethoxy)ethyl]butanedioic acid?
The IUPAC name of 2-hydroxy-2-[2-oxo-2-(2-prop-1-enoxyethoxy)ethyl]butanedioic acid (CID 152549811) is 2-hydroxy-2-[2-oxo-2-(2-prop-1-enoxyethoxy)ethyl]butanedioic acid.
What is the SMILES notation for 2-hydroxy-2-[2-oxo-2-(2-prop-1-enoxyethoxy)ethyl]butanedioic acid?
The canonical SMILES for 2-hydroxy-2-[2-oxo-2-(2-prop-1-enoxyethoxy)ethyl]butanedioic acid is CC=COCCOC(=O)CC(O)(CC(=O)O)C(=O)O.
What is the InChIKey of 2-hydroxy-2-[2-oxo-2-(2-prop-1-enoxyethoxy)ethyl]butanedioic acid?
The InChIKey is YNGFJUNXJDDLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O8/c1-2-3-18-4-5-19-9(14)7-11(17,10(15)16)6-8(12)13/h2-3,17H,4-7H2,1H3,(H,12,13)(H,15,16).
What are the key properties of 2-hydroxy-2-[2-oxo-2-(2-prop-1-enoxyethoxy)ethyl]butanedioic acid?
2-hydroxy-2-[2-oxo-2-(2-prop-1-enoxyethoxy)ethyl]butanedioic acid has a molecular weight of 276.24 g/mol, XLogP of -0.24, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[2-oxo-2-(2-prop-1-enoxyethoxy)ethyl]butanedioic acid is sourced from PubChem (CID 152549811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).