3-[3-(2-carboxyprop-1-enoxy)-2-hydroxypropoxy]-2-methylprop-2-enoic acid

C11H16O7 — CID 87559125

IUPAC3-[3-(2-carboxyprop-1-enoxy)-2-hydroxypropoxy]-2-methylprop-2-enoic acid
SMILESCC(=COCC(O)COC=C(C)C(=O)O)C(=O)O
InChIInChI=1S/C11H16O7/c1-7(10(13)14)3-17-5-9(12)6-18-4-8(2)11(15)16/h3-4,9,12H,5-6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyXBFCTLFTUJQGQA-UHFFFAOYSA-N
MW260.24 g/mol
LogP0.36
Rot. Bonds8

About 3-[3-(2-carboxyprop-1-enoxy)-2-hydroxypropoxy]-2-methylprop-2-enoic acid

3-[3-(2-carboxyprop-1-enoxy)-2-hydroxypropoxy]-2-methylprop-2-enoic acid (PubChem CID 87559125) has the molecular formula C11H16O7 and a molecular weight of 260.24 g/mol. Its IUPAC name is 3-[3-(2-carboxyprop-1-enoxy)-2-hydroxypropoxy]-2-methylprop-2-enoic acid.

Molecular Properties

Compound Name3-[3-(2-carboxyprop-1-enoxy)-2-hydroxypropoxy]-2-methylprop-2-enoic acid
PubChem CID87559125
Molecular FormulaC11H16O7
Molecular Weight260.24 g/mol
Exact Mass260.09
IUPAC Name3-[3-(2-carboxyprop-1-enoxy)-2-hydroxypropoxy]-2-methylprop-2-enoic acid
SMILESCC(=COCC(O)COC=C(C)C(=O)O)C(=O)O
InChIInChI=1S/C11H16O7/c1-7(10(13)14)3-17-5-9(12)6-18-4-8(2)11(15)16/h3-4,9,12H,5-6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyXBFCTLFTUJQGQA-UHFFFAOYSA-N
XLogP0.36
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[3-(2-carboxyprop-1-enoxy)-2-hydroxypropoxy]-2-methylprop-2-enoic 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

carbonic acid;bis(methyl 3-(2,3-dihydroxypropoxy)-2-methylprop-2-enoate)
CID 175100517
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylprop-2-enoic acid
CID 56998613
3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-methylprop-2-enoic acid
CID 173082103
2,2-bis(hydroxymethyl)propane-1,3-diol;3-[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]-2-methylprop-2-enoic acid
CID 87072003
(E)-5-hydroxy-6-methoxy-2-methylhex-2-enoic acid
CID 87432109
(E)-2-methyl-3-silyloxyprop-2-enoic acid
CID 173096363
cyclopentene;3-ethoxy-2-methylprop-2-enoic acid
CID 175914570
2-methylprop-2-enoic acid;2-methyl-3-prop-2-enoyloxyprop-2-enoic acid;propane-1,2,3-triol
CID 173130882
(E)-2-methyl-3-trimethylsilyloxyprop-2-enoic acid
CID 131356298
methanidylidyneazanium;3-methoxy-2-methylprop-2-enoic acid
CID 87773746
ethyl (E)-2-methyl-3-(2-methylpropoxy)prop-2-enoate
CID 153430214
3-methoxy-2-methylprop-2-enoic acid;2-methylprop-2-enoic acid
CID 160866094

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-carboxyprop-1-enoxy)-2-hydroxypropoxy]-2-methylprop-2-enoic acid?
The IUPAC name of 3-[3-(2-carboxyprop-1-enoxy)-2-hydroxypropoxy]-2-methylprop-2-enoic acid (CID 87559125) is 3-[3-(2-carboxyprop-1-enoxy)-2-hydroxypropoxy]-2-methylprop-2-enoic acid.
What is the SMILES notation for 3-[3-(2-carboxyprop-1-enoxy)-2-hydroxypropoxy]-2-methylprop-2-enoic acid?
The canonical SMILES for 3-[3-(2-carboxyprop-1-enoxy)-2-hydroxypropoxy]-2-methylprop-2-enoic acid is CC(=COCC(O)COC=C(C)C(=O)O)C(=O)O.
What is the InChIKey of 3-[3-(2-carboxyprop-1-enoxy)-2-hydroxypropoxy]-2-methylprop-2-enoic acid?
The InChIKey is XBFCTLFTUJQGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O7/c1-7(10(13)14)3-17-5-9(12)6-18-4-8(2)11(15)16/h3-4,9,12H,5-6H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 3-[3-(2-carboxyprop-1-enoxy)-2-hydroxypropoxy]-2-methylprop-2-enoic acid?
3-[3-(2-carboxyprop-1-enoxy)-2-hydroxypropoxy]-2-methylprop-2-enoic acid has a molecular weight of 260.24 g/mol, XLogP of 0.36, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-carboxyprop-1-enoxy)-2-hydroxypropoxy]-2-methylprop-2-enoic acid is sourced from PubChem (CID 87559125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).