hydrogen carbonate;2-hydroxyethyl(dimethyl)azanium

C5H13NO4 — CID 87203500

IUPAChydrogen carbonate;2-hydroxyethyl(dimethyl)azanium
SMILESC[NH+](C)CCO.O=C([O-])O
InChIInChI=1S/C4H11NO.CH2O3/c1-5(2)3-4-6;2-1(3)4/h6H,3-4H2,1-2H3;(H2,2,3,4)
InChIKeyKWQDWGCLPNOCBR-UHFFFAOYSA-N
MW151.16 g/mol
LogP-2.99
Rot. Bonds2

About hydrogen carbonate;2-hydroxyethyl(dimethyl)azanium

hydrogen carbonate;2-hydroxyethyl(dimethyl)azanium (PubChem CID 87203500) has the molecular formula C5H13NO4 and a molecular weight of 151.16 g/mol. Its IUPAC name is hydrogen carbonate;2-hydroxyethyl(dimethyl)azanium.

Molecular Properties

Compound Namehydrogen carbonate;2-hydroxyethyl(dimethyl)azanium
PubChem CID87203500
Molecular FormulaC5H13NO4
Molecular Weight151.16 g/mol
Exact Mass151.08
IUPAC Namehydrogen carbonate;2-hydroxyethyl(dimethyl)azanium
SMILESC[NH+](C)CCO.O=C([O-])O
InChIInChI=1S/C4H11NO.CH2O3/c1-5(2)3-4-6;2-1(3)4/h6H,3-4H2,1-2H3;(H2,2,3,4)
InChIKeyKWQDWGCLPNOCBR-UHFFFAOYSA-N
XLogP-2.99
TPSA85.03 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 5-2.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxyethyl(dimethyl)azanium acetate
CID 22140086
azanide;bis(2-hydroxyethyl(dimethyl)azanium)
CID 140518381
2-hydroxyethyl(dimethyl)azanium formate
CID 87203804
2-hydroxyethyl(dimethyl)azanium;octanoate
CID 57346607
bis(2-hydroxyethyl)-methylazanium;2-oxopropanoate
CID 163639194
butanedioate;butanedioic acid;2-(dimethylazaniumyl)ethyl-dimethylazanium
CID 139059168
benzenesulfonate;2-hydroxyethyl(dimethyl)azanium
CID 139841856
CID 145426201
CID 145426201
sodium;acetic acid;ethane-1,2-diol;acetate
CID 174903059
carbonic acid;hydrogen carbonate;2-hydroxyethyl(trimethyl)azanium
CID 173335741
4-hydroxy-4-oxobut-2-enoate;tris(2-hydroxyethyl)azanium
CID 57349850
4-hydroxybutyl(dimethyl)azanium chloride
CID 174716092

Frequently Asked Questions

What is the IUPAC name of hydrogen carbonate;2-hydroxyethyl(dimethyl)azanium?
The IUPAC name of hydrogen carbonate;2-hydroxyethyl(dimethyl)azanium (CID 87203500) is hydrogen carbonate;2-hydroxyethyl(dimethyl)azanium.
What is the SMILES notation for hydrogen carbonate;2-hydroxyethyl(dimethyl)azanium?
The canonical SMILES for hydrogen carbonate;2-hydroxyethyl(dimethyl)azanium is C[NH+](C)CCO.O=C([O-])O.
What is the InChIKey of hydrogen carbonate;2-hydroxyethyl(dimethyl)azanium?
The InChIKey is KWQDWGCLPNOCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO.CH2O3/c1-5(2)3-4-6;2-1(3)4/h6H,3-4H2,1-2H3;(H2,2,3,4).
What are the key properties of hydrogen carbonate;2-hydroxyethyl(dimethyl)azanium?
hydrogen carbonate;2-hydroxyethyl(dimethyl)azanium has a molecular weight of 151.16 g/mol, XLogP of -2.99, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen carbonate;2-hydroxyethyl(dimethyl)azanium is sourced from PubChem (CID 87203500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).