[3-[2-(dimethylamino)ethoxy]-3-oxopropyl] 2-methylprop-2-enoate

C11H19NO4 — CID 20659289

IUPAC[3-[2-(dimethylamino)ethoxy]-3-oxopropyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC(=O)OCCN(C)C
InChIInChI=1S/C11H19NO4/c1-9(2)11(14)16-7-5-10(13)15-8-6-12(3)4/h1,5-8H2,2-4H3
InChIKeyCBUYCOUMRRCASB-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.60
Rot. Bonds7

About [3-[2-(dimethylamino)ethoxy]-3-oxopropyl] 2-methylprop-2-enoate

[3-[2-(dimethylamino)ethoxy]-3-oxopropyl] 2-methylprop-2-enoate (PubChem CID 20659289) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is [3-[2-(dimethylamino)ethoxy]-3-oxopropyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[3-[2-(dimethylamino)ethoxy]-3-oxopropyl] 2-methylprop-2-enoate
PubChem CID20659289
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name[3-[2-(dimethylamino)ethoxy]-3-oxopropyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC(=O)OCCN(C)C
InChIInChI=1S/C11H19NO4/c1-9(2)11(14)16-7-5-10(13)15-8-6-12(3)4/h1,5-8H2,2-4H3
InChIKeyCBUYCOUMRRCASB-UHFFFAOYSA-N
XLogP0.60
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [3-[2-(dimethylamino)ethoxy]-3-oxopropyl] 2-methylprop-2-enoate 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

2-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrazine
CID 161393762
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethane;formaldehyde
CID 142905886
butanedioic acid;2-(dimethylamino)ethyl 2-methylprop-2-enoate
CID 19967472
[3-[3-[2-(diethylamino)ethoxy]-3-oxopropoxy]-3-oxopropyl] 2-methylprop-2-enoate
CID 20659271
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethanamine;hydrobromide
CID 175228289
butyl 2-methylprop-2-enoate;2-(dimethylamino)ethyl 2-methylprop-2-enoate
CID 87280234
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl acetate
CID 131725052
2-(2-methylprop-2-enoyloxy)ethyl 4-hydroxypent-4-enoate
CID 89274312
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl 2-hydroxyprop-2-enoate
CID 174893121
2-(dimethylamino)ethyl 2-methylprop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate
CID 159218034
2-[2-acetyloxyethyl(methyl)amino]ethyl 2-methylprop-2-enoate
CID 88902342
2-(dimethylamino)ethyl 4-oxopentanoate
CID 21027209

Frequently Asked Questions

What is the IUPAC name of [3-[2-(dimethylamino)ethoxy]-3-oxopropyl] 2-methylprop-2-enoate?
The IUPAC name of [3-[2-(dimethylamino)ethoxy]-3-oxopropyl] 2-methylprop-2-enoate (CID 20659289) is [3-[2-(dimethylamino)ethoxy]-3-oxopropyl] 2-methylprop-2-enoate.
What is the SMILES notation for [3-[2-(dimethylamino)ethoxy]-3-oxopropyl] 2-methylprop-2-enoate?
The canonical SMILES for [3-[2-(dimethylamino)ethoxy]-3-oxopropyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCCC(=O)OCCN(C)C.
What is the InChIKey of [3-[2-(dimethylamino)ethoxy]-3-oxopropyl] 2-methylprop-2-enoate?
The InChIKey is CBUYCOUMRRCASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-9(2)11(14)16-7-5-10(13)15-8-6-12(3)4/h1,5-8H2,2-4H3.
What are the key properties of [3-[2-(dimethylamino)ethoxy]-3-oxopropyl] 2-methylprop-2-enoate?
[3-[2-(dimethylamino)ethoxy]-3-oxopropyl] 2-methylprop-2-enoate has a molecular weight of 229.28 g/mol, XLogP of 0.60, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(dimethylamino)ethoxy]-3-oxopropyl] 2-methylprop-2-enoate is sourced from PubChem (CID 20659289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).