[2-(dimethylamino)-2-ethoxyethyl] prop-2-enoate

C9H17NO3 — CID 58203187

IUPAC[2-(dimethylamino)-2-ethoxyethyl] prop-2-enoate
SMILESC=CC(=O)OCC(OCC)N(C)C
InChIInChI=1S/C9H17NO3/c1-5-9(11)13-7-8(10(3)4)12-6-2/h5,8H,1,6-7H2,2-4H3
InChIKeyYYDSYWADHJHKGR-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.64
Rot. Bonds6

About [2-(dimethylamino)-2-ethoxyethyl] prop-2-enoate

[2-(dimethylamino)-2-ethoxyethyl] prop-2-enoate (PubChem CID 58203187) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is [2-(dimethylamino)-2-ethoxyethyl] prop-2-enoate.

Molecular Properties

Compound Name[2-(dimethylamino)-2-ethoxyethyl] prop-2-enoate
PubChem CID58203187
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name[2-(dimethylamino)-2-ethoxyethyl] prop-2-enoate
SMILESC=CC(=O)OCC(OCC)N(C)C
InChIInChI=1S/C9H17NO3/c1-5-9(11)13-7-8(10(3)4)12-6-2/h5,8H,1,6-7H2,2-4H3
InChIKeyYYDSYWADHJHKGR-UHFFFAOYSA-N
XLogP0.64
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [2-(dimethylamino)-2-ethoxyethyl] prop-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)propyl prop-2-enoate;prop-2-enoic acid
CID 154945547
2-(dimethylamino)propyl prop-2-enoate;2-methylprop-2-enoic acid
CID 158771008
[2-[(dimethylamino)methyl]-3-prop-2-enoyloxypropyl] prop-2-enoate
CID 139724297
1-(dimethylamino)propyl prop-2-enoate;hydrofluoride
CID 173036316
4-(dimethylamino)pentyl prop-2-enoate
CID 159489055
[(2S)-2-hydroxybutyl] prop-2-enoate
CID 141242121
ethenamine;ethyl prop-2-enoate
CID 22022699
ethyl prop-2-enoate;hydrochloride
CID 87359594
ethyl prop-2-enoate;hydroiodide
CID 159738872
ethyl prop-2-enoate;sulfane
CID 157093783
2-(dimethylamino)octyl prop-2-enoate
CID 86745027
(4,4-diethoxy-3-silylbutyl) prop-2-enoate
CID 174393273

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-2-ethoxyethyl] prop-2-enoate?
The IUPAC name of [2-(dimethylamino)-2-ethoxyethyl] prop-2-enoate (CID 58203187) is [2-(dimethylamino)-2-ethoxyethyl] prop-2-enoate.
What is the SMILES notation for [2-(dimethylamino)-2-ethoxyethyl] prop-2-enoate?
The canonical SMILES for [2-(dimethylamino)-2-ethoxyethyl] prop-2-enoate is C=CC(=O)OCC(OCC)N(C)C.
What is the InChIKey of [2-(dimethylamino)-2-ethoxyethyl] prop-2-enoate?
The InChIKey is YYDSYWADHJHKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-5-9(11)13-7-8(10(3)4)12-6-2/h5,8H,1,6-7H2,2-4H3.
What are the key properties of [2-(dimethylamino)-2-ethoxyethyl] prop-2-enoate?
[2-(dimethylamino)-2-ethoxyethyl] prop-2-enoate has a molecular weight of 187.24 g/mol, XLogP of 0.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-2-ethoxyethyl] prop-2-enoate is sourced from PubChem (CID 58203187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).