hydrogen carbonate;2-hydroxyethyl(trimethyl)azanium

C6H15NO4 — CID 6552

IUPAChydrogen carbonate;2-hydroxyethyl(trimethyl)azanium
SMILESC[N+](C)(C)CCO.O=C([O-])O
InChIInChI=1S/C5H14NO.CH2O3/c1-6(2,3)4-5-7;2-1(3)4/h7H,4-5H2,1-3H3;(H2,2,3,4)/q+1;/p-1
InChIKeyDQKGOGJIOHUEGK-UHFFFAOYSA-M
MW165.19 g/mol
LogP-1.43
Rot. Bonds2

About hydrogen carbonate;2-hydroxyethyl(trimethyl)azanium

hydrogen carbonate;2-hydroxyethyl(trimethyl)azanium (PubChem CID 6552) has the molecular formula C6H15NO4 and a molecular weight of 165.19 g/mol. Its IUPAC name is hydrogen carbonate;2-hydroxyethyl(trimethyl)azanium.

Molecular Properties

Compound Namehydrogen carbonate;2-hydroxyethyl(trimethyl)azanium
PubChem CID6552
Molecular FormulaC6H15NO4
Molecular Weight165.19 g/mol
Exact Mass165.10
IUPAC Namehydrogen carbonate;2-hydroxyethyl(trimethyl)azanium
SMILESC[N+](C)(C)CCO.O=C([O-])O
InChIInChI=1S/C5H14NO.CH2O3/c1-6(2,3)4-5-7;2-1(3)4/h7H,4-5H2,1-3H3;(H2,2,3,4)/q+1;/p-1
InChIKeyDQKGOGJIOHUEGK-UHFFFAOYSA-M
XLogP-1.43
TPSA80.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 5-1.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Choline, hydroxide
CID 31255
Formic acid, compd. with 2,2',2''-nitrilotris[ethanol] (1:1)
CID 90610
Triethanolamine acetate
CID 159752
2,2'-(Methylimino)bis-ethanol acetate (1:1)
CID 158131738
methyl N-(2-hydroxyethyl)-N-methylcarbamate
CID 568300
Formic acid, compd. with 2-(dimethylamino)ethanol (1:1)
CID 173665
Cholin acetate
CID 11643980
Triethanolamine carbonate
CID 12239069
Bis(2-hydroxyethyl) carbamic acid
CID 15795359
Cholinchlorat
CID 17885833
N,N-bis(oxyethyl)-glycine
CID 19736988
Formiat Cholin
CID 22016010

Frequently Asked Questions

What is the IUPAC name of hydrogen carbonate;2-hydroxyethyl(trimethyl)azanium?
The IUPAC name of hydrogen carbonate;2-hydroxyethyl(trimethyl)azanium (CID 6552) is hydrogen carbonate;2-hydroxyethyl(trimethyl)azanium.
What is the SMILES notation for hydrogen carbonate;2-hydroxyethyl(trimethyl)azanium?
The canonical SMILES for hydrogen carbonate;2-hydroxyethyl(trimethyl)azanium is C[N+](C)(C)CCO.O=C([O-])O.
What is the InChIKey of hydrogen carbonate;2-hydroxyethyl(trimethyl)azanium?
The InChIKey is DQKGOGJIOHUEGK-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H14NO.CH2O3/c1-6(2,3)4-5-7;2-1(3)4/h7H,4-5H2,1-3H3;(H2,2,3,4)/q+1;/p-1.
What are the key properties of hydrogen carbonate;2-hydroxyethyl(trimethyl)azanium?
hydrogen carbonate;2-hydroxyethyl(trimethyl)azanium has a molecular weight of 165.19 g/mol, XLogP of -1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen carbonate;2-hydroxyethyl(trimethyl)azanium is sourced from PubChem (CID 6552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).