2-hydroxyethyl(trimethyl)azanium;2-methylprop-2-enoate

C9H19NO3 — CID 22481189

IUPAC2-hydroxyethyl(trimethyl)azanium;2-methylprop-2-enoate
SMILESC=C(C)C(=O)[O-].C[N+](C)(C)CCO
InChIInChI=1S/C5H14NO.C4H6O2/c1-6(2,3)4-5-7;1-3(2)4(5)6/h7H,4-5H2,1-3H3;1H2,2H3,(H,5,6)/q+1;/p-1
InChIKeyGYXOHPLRXDQGBP-UHFFFAOYSA-M
MW189.25 g/mol
LogP-1.00
Rot. Bonds3

About 2-hydroxyethyl(trimethyl)azanium;2-methylprop-2-enoate

2-hydroxyethyl(trimethyl)azanium;2-methylprop-2-enoate (PubChem CID 22481189) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 2-hydroxyethyl(trimethyl)azanium;2-methylprop-2-enoate.

Molecular Properties

Compound Name2-hydroxyethyl(trimethyl)azanium;2-methylprop-2-enoate
PubChem CID22481189
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name2-hydroxyethyl(trimethyl)azanium;2-methylprop-2-enoate
SMILESC=C(C)C(=O)[O-].C[N+](C)(C)CCO
InChIInChI=1S/C5H14NO.C4H6O2/c1-6(2,3)4-5-7;1-3(2)4(5)6/h7H,4-5H2,1-3H3;1H2,2H3,(H,5,6)/q+1;/p-1
InChIKeyGYXOHPLRXDQGBP-UHFFFAOYSA-M
XLogP-1.00
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

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Einecs 265-778-8
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Einecs 285-475-4
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N,N-dimethylethanamine;2-methylprop-2-enoic acid
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2-Hydroxypropyl(trimethyl)azanium;2-methylprop-2-enoate
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2-(Diethylamino)ethyl 2-methylprop-2-eneperoxoate
CID 18961391
Trimethyl-[2-(2-methylprop-2-enoylperoxy)ethyl]azanium
CID 19897245
2-[Butyl(2-hydroxyethyl)amino]ethanol;bis(2-methylprop-2-enoic acid)
CID 20083001
2-Hydroxyethyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium acetate
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CID 20349112

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl(trimethyl)azanium;2-methylprop-2-enoate?
The IUPAC name of 2-hydroxyethyl(trimethyl)azanium;2-methylprop-2-enoate (CID 22481189) is 2-hydroxyethyl(trimethyl)azanium;2-methylprop-2-enoate.
What is the SMILES notation for 2-hydroxyethyl(trimethyl)azanium;2-methylprop-2-enoate?
The canonical SMILES for 2-hydroxyethyl(trimethyl)azanium;2-methylprop-2-enoate is C=C(C)C(=O)[O-].C[N+](C)(C)CCO.
What is the InChIKey of 2-hydroxyethyl(trimethyl)azanium;2-methylprop-2-enoate?
The InChIKey is GYXOHPLRXDQGBP-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H14NO.C4H6O2/c1-6(2,3)4-5-7;1-3(2)4(5)6/h7H,4-5H2,1-3H3;1H2,2H3,(H,5,6)/q+1;/p-1.
What are the key properties of 2-hydroxyethyl(trimethyl)azanium;2-methylprop-2-enoate?
2-hydroxyethyl(trimethyl)azanium;2-methylprop-2-enoate has a molecular weight of 189.25 g/mol, XLogP of -1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl(trimethyl)azanium;2-methylprop-2-enoate is sourced from PubChem (CID 22481189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).