3-(3-hydroxy-2-prop-2-enoyloxypropoxy)-3-oxopropanoic acid

C9H12O7 — CID 176832226

IUPAC3-(3-hydroxy-2-prop-2-enoyloxypropoxy)-3-oxopropanoic acid
SMILESC=CC(=O)OC(CO)COC(=O)CC(=O)O
InChIInChI=1S/C9H12O7/c1-2-8(13)16-6(4-10)5-15-9(14)3-7(11)12/h2,6,10H,1,3-5H2,(H,11,12)
InChIKeyYFVUMGFPAKVKMP-UHFFFAOYSA-N
MW232.19 g/mol
LogP-0.91
Rot. Bonds7

About 3-(3-hydroxy-2-prop-2-enoyloxypropoxy)-3-oxopropanoic acid

3-(3-hydroxy-2-prop-2-enoyloxypropoxy)-3-oxopropanoic acid (PubChem CID 176832226) has the molecular formula C9H12O7 and a molecular weight of 232.19 g/mol. Its IUPAC name is 3-(3-hydroxy-2-prop-2-enoyloxypropoxy)-3-oxopropanoic acid.

Molecular Properties

Compound Name3-(3-hydroxy-2-prop-2-enoyloxypropoxy)-3-oxopropanoic acid
PubChem CID176832226
Molecular FormulaC9H12O7
Molecular Weight232.19 g/mol
Exact Mass232.06
IUPAC Name3-(3-hydroxy-2-prop-2-enoyloxypropoxy)-3-oxopropanoic acid
SMILESC=CC(=O)OC(CO)COC(=O)CC(=O)O
InChIInChI=1S/C9H12O7/c1-2-8(13)16-6(4-10)5-15-9(14)3-7(11)12/h2,6,10H,1,3-5H2,(H,11,12)
InChIKeyYFVUMGFPAKVKMP-UHFFFAOYSA-N
XLogP-0.91
TPSA110.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(3-hydroxy-2-prop-2-enoyloxypropoxy)-3-oxopropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-(3-hydroxy-2-prop-2-enoyloxypropoxy)-10-oxodecanoic acid
CID 87074642
[3-hydroxy-2-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;(3-hydroxy-2-prop-2-enoyloxypropyl) prop-2-enoate
CID 159044729
(1-hydroxy-3-nitrosopropan-2-yl) prop-2-enoate
CID 147089407
[3-hydroxy-2-[(2E)-2-methoxyiminoacetyl]oxypropyl] prop-2-enoate
CID 15702329
2,3-di(propanoyloxy)propyl propanoate;2,3-di(prop-2-enoyloxy)propyl prop-2-enoate
CID 160690637
[2-(3-oxobutanoyloxy)-3-prop-2-enoyloxypropyl] 3-oxobutanoate
CID 22505843
[1-hydroxy-3-(2,2,2-trifluoroethoxy)propan-2-yl] prop-2-enoate
CID 143704961
3-(2,3-dihydroxypropoxy)-3-oxopropanoic acid
CID 54010507
3-(2-hydroxypropoxy)-3-oxopropanoic acid
CID 58952816
[1-hydroxy-3-(oxiran-2-ylmethoxy)propan-2-yl] prop-2-enoate
CID 88624989
4-oxo-4-[(2R)-2-prop-2-enoyloxypropoxy]butanoic acid
CID 134236430
6-[2-(5-carboxypentanoyloxy)-3-hydroxypropoxy]-6-oxohexanoic acid
CID 91057967

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-2-prop-2-enoyloxypropoxy)-3-oxopropanoic acid?
The IUPAC name of 3-(3-hydroxy-2-prop-2-enoyloxypropoxy)-3-oxopropanoic acid (CID 176832226) is 3-(3-hydroxy-2-prop-2-enoyloxypropoxy)-3-oxopropanoic acid.
What is the SMILES notation for 3-(3-hydroxy-2-prop-2-enoyloxypropoxy)-3-oxopropanoic acid?
The canonical SMILES for 3-(3-hydroxy-2-prop-2-enoyloxypropoxy)-3-oxopropanoic acid is C=CC(=O)OC(CO)COC(=O)CC(=O)O.
What is the InChIKey of 3-(3-hydroxy-2-prop-2-enoyloxypropoxy)-3-oxopropanoic acid?
The InChIKey is YFVUMGFPAKVKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O7/c1-2-8(13)16-6(4-10)5-15-9(14)3-7(11)12/h2,6,10H,1,3-5H2,(H,11,12).
What are the key properties of 3-(3-hydroxy-2-prop-2-enoyloxypropoxy)-3-oxopropanoic acid?
3-(3-hydroxy-2-prop-2-enoyloxypropoxy)-3-oxopropanoic acid has a molecular weight of 232.19 g/mol, XLogP of -0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-2-prop-2-enoyloxypropoxy)-3-oxopropanoic acid is sourced from PubChem (CID 176832226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).