2-hydroxyacetic acid;2-hydroxy-2-prop-2-enylpent-4-enoic acid

C10H16O6 — CID 88654397

IUPAC2-hydroxyacetic acid;2-hydroxy-2-prop-2-enylpent-4-enoic acid
SMILESC=CCC(O)(CC=C)C(=O)O.O=C(O)CO
InChIInChI=1S/C8H12O3.C2H4O3/c1-3-5-8(11,6-4-2)7(9)10;3-1-2(4)5/h3-4,11H,1-2,5-6H2,(H,9,10);3H,1H2,(H,4,5)
InChIKeyFVEDHVFPYBYTHO-UHFFFAOYSA-N
MW232.23 g/mol
LogP0.02
Rot. Bonds6

About 2-hydroxyacetic acid;2-hydroxy-2-prop-2-enylpent-4-enoic acid

2-hydroxyacetic acid;2-hydroxy-2-prop-2-enylpent-4-enoic acid (PubChem CID 88654397) has the molecular formula C10H16O6 and a molecular weight of 232.23 g/mol. Its IUPAC name is 2-hydroxyacetic acid;2-hydroxy-2-prop-2-enylpent-4-enoic acid.

Molecular Properties

Compound Name2-hydroxyacetic acid;2-hydroxy-2-prop-2-enylpent-4-enoic acid
PubChem CID88654397
Molecular FormulaC10H16O6
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Name2-hydroxyacetic acid;2-hydroxy-2-prop-2-enylpent-4-enoic acid
SMILESC=CCC(O)(CC=C)C(=O)O.O=C(O)CO
InChIInChI=1S/C8H12O3.C2H4O3/c1-3-5-8(11,6-4-2)7(9)10;3-1-2(4)5/h3-4,11H,1-2,5-6H2,(H,9,10);3H,1H2,(H,4,5)
InChIKeyFVEDHVFPYBYTHO-UHFFFAOYSA-N
XLogP0.02
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 50.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

azane;2-hydroxyacetic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 174959372
2-hydroxyacetic acid;prop-2-ene-1-thiol
CID 88789188
but-3-ene-1,1,1-tricarboxylic acid
CID 59237686
1-chloropentane;2-hydroxy-2-prop-2-enylbutanedioic acid
CID 174507210
1-bromo-3-hydroxy-3-prop-2-enylhex-5-en-2-one
CID 23007858
2-hydroxyacetic acid;tris(prop-1-ene)
CID 159374774
2-hydroxyacetic acid;prop-1-ene
CID 19035670
2-hydroxypropane-1,2,3-tricarboxylic acid;tungsten
CID 89401463
CID 87090686
CID 87090686
CID 6335619
CID 6335619
2-hydroxypropane-1,2,3-tricarboxylic acid;manganese
CID 90472972
silver 2-hydroxypropane-1,2,3-tricarboxylic acid
CID 11587493

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyacetic acid;2-hydroxy-2-prop-2-enylpent-4-enoic acid?
The IUPAC name of 2-hydroxyacetic acid;2-hydroxy-2-prop-2-enylpent-4-enoic acid (CID 88654397) is 2-hydroxyacetic acid;2-hydroxy-2-prop-2-enylpent-4-enoic acid.
What is the SMILES notation for 2-hydroxyacetic acid;2-hydroxy-2-prop-2-enylpent-4-enoic acid?
The canonical SMILES for 2-hydroxyacetic acid;2-hydroxy-2-prop-2-enylpent-4-enoic acid is C=CCC(O)(CC=C)C(=O)O.O=C(O)CO.
What is the InChIKey of 2-hydroxyacetic acid;2-hydroxy-2-prop-2-enylpent-4-enoic acid?
The InChIKey is FVEDHVFPYBYTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3.C2H4O3/c1-3-5-8(11,6-4-2)7(9)10;3-1-2(4)5/h3-4,11H,1-2,5-6H2,(H,9,10);3H,1H2,(H,4,5).
What are the key properties of 2-hydroxyacetic acid;2-hydroxy-2-prop-2-enylpent-4-enoic acid?
2-hydroxyacetic acid;2-hydroxy-2-prop-2-enylpent-4-enoic acid has a molecular weight of 232.23 g/mol, XLogP of 0.02, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyacetic acid;2-hydroxy-2-prop-2-enylpent-4-enoic acid is sourced from PubChem (CID 88654397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).