[2-(diethylamino)-2-hydroxyethyl] 2-methylprop-2-enoate

C10H19NO3 — CID 57254396

IUPAC[2-(diethylamino)-2-hydroxyethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(O)N(CC)CC
InChIInChI=1S/C10H19NO3/c1-5-11(6-2)9(12)7-14-10(13)8(3)4/h9,12H,3,5-7H2,1-2,4H3
InChIKeyUWHIODUDORESFB-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.77
Rot. Bonds6

About [2-(diethylamino)-2-hydroxyethyl] 2-methylprop-2-enoate

[2-(diethylamino)-2-hydroxyethyl] 2-methylprop-2-enoate (PubChem CID 57254396) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is [2-(diethylamino)-2-hydroxyethyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-(diethylamino)-2-hydroxyethyl] 2-methylprop-2-enoate
PubChem CID57254396
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name[2-(diethylamino)-2-hydroxyethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(O)N(CC)CC
InChIInChI=1S/C10H19NO3/c1-5-11(6-2)9(12)7-14-10(13)8(3)4/h9,12H,3,5-7H2,1-2,4H3
InChIKeyUWHIODUDORESFB-UHFFFAOYSA-N
XLogP0.77
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.77
H-Bond Donors ≤ 51
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'}

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Related Compounds

2,3-dihydroxypropyl 2-methylprop-2-enoate;propane
CID 87556862
N,N-dimethylmethanamine;2-hydroxypropyl 2-methylprop-2-enoate;hydrochloride
CID 87121753
2,3-dihydroxybutyl 2-methylprop-2-enoate
CID 22149440
[(2S)-2-hydroxy-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate
CID 88713969
(2-hydroxy-3-propanoyloxypropyl) 2-methylprop-2-enoate
CID 20746567
[2-hydroxy-3-[[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]-propylamino]propyl] 2-methylprop-2-enoate
CID 87760965
[2-(diethylamino)-2-phenoxyethyl] 2-methylprop-2-enoate
CID 67680774
ethane;2-methanidylpropyl 2-methylprop-2-enoate;tungsten(2+)
CID 20605307
[3-hydroxy-2-methyl-4-(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 19428941
(2-hydroxy-3-methoxypropyl) 2-methylprop-2-enoate
CID 15315335
2-hydroxypropyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 87196210
[2-amino-4-(diethylamino)butyl] 2-methylprop-2-enoate
CID 57050528

Frequently Asked Questions

What is the IUPAC name of [2-(diethylamino)-2-hydroxyethyl] 2-methylprop-2-enoate?
The IUPAC name of [2-(diethylamino)-2-hydroxyethyl] 2-methylprop-2-enoate (CID 57254396) is [2-(diethylamino)-2-hydroxyethyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-(diethylamino)-2-hydroxyethyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-(diethylamino)-2-hydroxyethyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(O)N(CC)CC.
What is the InChIKey of [2-(diethylamino)-2-hydroxyethyl] 2-methylprop-2-enoate?
The InChIKey is UWHIODUDORESFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-5-11(6-2)9(12)7-14-10(13)8(3)4/h9,12H,3,5-7H2,1-2,4H3.
What are the key properties of [2-(diethylamino)-2-hydroxyethyl] 2-methylprop-2-enoate?
[2-(diethylamino)-2-hydroxyethyl] 2-methylprop-2-enoate has a molecular weight of 201.27 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethylamino)-2-hydroxyethyl] 2-methylprop-2-enoate is sourced from PubChem (CID 57254396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).