[3-(diethylamino)-2-hydroxypropyl] prop-2-enoate;hydroiodide

C10H20INO3 — CID 173034906

IUPAC[3-(diethylamino)-2-hydroxypropyl] prop-2-enoate;hydroiodide
SMILESC=CC(=O)OCC(O)CN(CC)CC.I
InChIInChI=1S/C10H19NO3.HI/c1-4-10(13)14-8-9(12)7-11(5-2)6-3;/h4,9,12H,1,5-8H2,2-3H3;1H
InChIKeyNSAIYSLFHNIDKJ-UHFFFAOYSA-N
MW329.18 g/mol
LogP1.04
Rot. Bonds7

About [3-(diethylamino)-2-hydroxypropyl] prop-2-enoate;hydroiodide

[3-(diethylamino)-2-hydroxypropyl] prop-2-enoate;hydroiodide (PubChem CID 173034906) has the molecular formula C10H20INO3 and a molecular weight of 329.18 g/mol. Its IUPAC name is [3-(diethylamino)-2-hydroxypropyl] prop-2-enoate;hydroiodide.

Molecular Properties

Compound Name[3-(diethylamino)-2-hydroxypropyl] prop-2-enoate;hydroiodide
PubChem CID173034906
Molecular FormulaC10H20INO3
Molecular Weight329.18 g/mol
Exact Mass329.05
IUPAC Name[3-(diethylamino)-2-hydroxypropyl] prop-2-enoate;hydroiodide
SMILESC=CC(=O)OCC(O)CN(CC)CC.I
InChIInChI=1S/C10H19NO3.HI/c1-4-10(13)14-8-9(12)7-11(5-2)6-3;/h4,9,12H,1,5-8H2,2-3H3;1H
InChIKeyNSAIYSLFHNIDKJ-UHFFFAOYSA-N
XLogP1.04
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.18
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [3-(diethylamino)-2-hydroxypropyl] prop-2-enoate;hydroiodide 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

(3-chloro-2-hydroxypropyl) prop-2-enoate;N,N-diethylethanamine
CID 87225352
[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl] prop-2-enoate
CID 59721634
[(2S)-2-hydroxybutyl] prop-2-enoate
CID 141242121
(3-bromo-2-hydroxypropyl) prop-2-enoate
CID 54425888
(3-chloro-2-hydroxypropyl) prop-2-enoate;N,N-dimethylmethanamine
CID 87225254
[2-hydroxy-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoyloxypropoxy)propoxy]propyl] prop-2-enoate;methane
CID 158073431
(2-hydroxy-3-sulfanylpropyl) prop-2-enoate
CID 90160037
diethyl-(2-hydroxy-3-prop-2-enoyloxypropyl)azanium fluoride
CID 87218021
(3-buta-1,3-dien-2-yloxy-2-hydroxypropyl) prop-2-enoate
CID 176752228
(2-hydroxy-3-prop-2-enoyloxypropyl) 2,2-dimethylpropanoate
CID 88553143
(2-hydroxy-3-prop-2-enoyloxypropyl)-dimethylazanium iodide
CID 87218104
[2-[(dimethylamino)methyl]-3-prop-2-enoyloxypropyl] prop-2-enoate
CID 139724297

Frequently Asked Questions

What is the IUPAC name of [3-(diethylamino)-2-hydroxypropyl] prop-2-enoate;hydroiodide?
The IUPAC name of [3-(diethylamino)-2-hydroxypropyl] prop-2-enoate;hydroiodide (CID 173034906) is [3-(diethylamino)-2-hydroxypropyl] prop-2-enoate;hydroiodide.
What is the SMILES notation for [3-(diethylamino)-2-hydroxypropyl] prop-2-enoate;hydroiodide?
The canonical SMILES for [3-(diethylamino)-2-hydroxypropyl] prop-2-enoate;hydroiodide is C=CC(=O)OCC(O)CN(CC)CC.I.
What is the InChIKey of [3-(diethylamino)-2-hydroxypropyl] prop-2-enoate;hydroiodide?
The InChIKey is NSAIYSLFHNIDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3.HI/c1-4-10(13)14-8-9(12)7-11(5-2)6-3;/h4,9,12H,1,5-8H2,2-3H3;1H.
What are the key properties of [3-(diethylamino)-2-hydroxypropyl] prop-2-enoate;hydroiodide?
[3-(diethylamino)-2-hydroxypropyl] prop-2-enoate;hydroiodide has a molecular weight of 329.18 g/mol, XLogP of 1.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(diethylamino)-2-hydroxypropyl] prop-2-enoate;hydroiodide is sourced from PubChem (CID 173034906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).