2-hydroxy-3-prop-2-enoyloxypropanoic acid

C6H8O5 — CID 118523879

IUPAC2-hydroxy-3-prop-2-enoyloxypropanoic acid
SMILESC=CC(=O)OCC(O)C(=O)O
InChIInChI=1S/C6H8O5/c1-2-5(8)11-3-4(7)6(9)10/h2,4,7H,1,3H2,(H,9,10)
InChIKeyOQEUEZMJFHOAEN-UHFFFAOYSA-N
MW160.12 g/mol
LogP-0.84
Rot. Bonds4

About 2-hydroxy-3-prop-2-enoyloxypropanoic acid

2-hydroxy-3-prop-2-enoyloxypropanoic acid (PubChem CID 118523879) has the molecular formula C6H8O5 and a molecular weight of 160.12 g/mol. Its IUPAC name is 2-hydroxy-3-prop-2-enoyloxypropanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-prop-2-enoyloxypropanoic acid
PubChem CID118523879
Molecular FormulaC6H8O5
Molecular Weight160.12 g/mol
Exact Mass160.04
IUPAC Name2-hydroxy-3-prop-2-enoyloxypropanoic acid
SMILESC=CC(=O)OCC(O)C(=O)O
InChIInChI=1S/C6H8O5/c1-2-5(8)11-3-4(7)6(9)10/h2,4,7H,1,3H2,(H,9,10)
InChIKeyOQEUEZMJFHOAEN-UHFFFAOYSA-N
XLogP-0.84
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 ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-2-(prop-2-enoyloxymethyl)butanoic acid
CID 174714719
(2-hydroxy-2-sulfanylethyl) prop-2-enoate
CID 150473785
(3-bromo-2-hydroxypropyl) prop-2-enoate
CID 54425888
2,2-bis(sulfanyl)ethyl prop-2-enoate
CID 150173166
[2-hydroxy-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoyloxypropoxy)propoxy]propyl] prop-2-enoate;methane
CID 158073431
[(2S)-2-hydroxybutyl] prop-2-enoate
CID 141242121
[(2R,3R)-2,3,4-trihydroxybutyl] prop-2-enoate
CID 87646128
(2-hydroxy-3-sulfanylpropyl) prop-2-enoate
CID 90160037
(Z)-4-(2-hydroxy-3-prop-2-enoyloxypropoxy)-4-oxobut-2-enoic acid
CID 90382332
(3,5-dihydroxy-2-prop-2-enylhex-5-enyl) prop-2-enoate
CID 87867853
(3-buta-1,3-dien-2-yloxy-2-hydroxypropyl) prop-2-enoate
CID 176752228
2-[1,2-di(prop-2-enoyloxy)ethyl]but-3-enoic acid
CID 87313274

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-prop-2-enoyloxypropanoic acid?
The IUPAC name of 2-hydroxy-3-prop-2-enoyloxypropanoic acid (CID 118523879) is 2-hydroxy-3-prop-2-enoyloxypropanoic acid.
What is the SMILES notation for 2-hydroxy-3-prop-2-enoyloxypropanoic acid?
The canonical SMILES for 2-hydroxy-3-prop-2-enoyloxypropanoic acid is C=CC(=O)OCC(O)C(=O)O.
What is the InChIKey of 2-hydroxy-3-prop-2-enoyloxypropanoic acid?
The InChIKey is OQEUEZMJFHOAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O5/c1-2-5(8)11-3-4(7)6(9)10/h2,4,7H,1,3H2,(H,9,10).
What are the key properties of 2-hydroxy-3-prop-2-enoyloxypropanoic acid?
2-hydroxy-3-prop-2-enoyloxypropanoic acid has a molecular weight of 160.12 g/mol, XLogP of -0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-prop-2-enoyloxypropanoic acid is sourced from PubChem (CID 118523879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).