(2-amino-2-oxoethyl)-bis(2-hydroxyethyl)-methylazanium

C7H17N2O3+ — CID 58954985

IUPAC(2-amino-2-oxoethyl)-bis(2-hydroxyethyl)-methylazanium
SMILESC[N+](CCO)(CCO)CC(N)=O
InChIInChI=1S/C7H16N2O3/c1-9(2-4-10,3-5-11)6-7(8)12/h10-11H,2-6H2,1H3,(H-,8,12)/p+1
InChIKeyHILCAEVZGNFIHM-UHFFFAOYSA-O
MW177.22 g/mol
LogP-2.10
Rot. Bonds6

About (2-amino-2-oxoethyl)-bis(2-hydroxyethyl)-methylazanium

(2-amino-2-oxoethyl)-bis(2-hydroxyethyl)-methylazanium (PubChem CID 58954985) has the molecular formula C7H17N2O3+ and a molecular weight of 177.22 g/mol. Its IUPAC name is (2-amino-2-oxoethyl)-bis(2-hydroxyethyl)-methylazanium.

Molecular Properties

Compound Name(2-amino-2-oxoethyl)-bis(2-hydroxyethyl)-methylazanium
PubChem CID58954985
Molecular FormulaC7H17N2O3+
Molecular Weight177.22 g/mol
Exact Mass177.12
IUPAC Name(2-amino-2-oxoethyl)-bis(2-hydroxyethyl)-methylazanium
SMILESC[N+](CCO)(CCO)CC(N)=O
InChIInChI=1S/C7H16N2O3/c1-9(2-4-10,3-5-11)6-7(8)12/h10-11H,2-6H2,1H3,(H-,8,12)/p+1
InChIKeyHILCAEVZGNFIHM-UHFFFAOYSA-O
XLogP-2.10
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 5-2.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Acetamide, 2-[bis(2-hydroxyethyl)amino]-
CID 10877441
2-(2-Hydroxyethylamino)acetamide
CID 15323524
(N,N-bis(2-hydroxylethyl)oxamide)
CID 18997631
2,2'-(methylazanediyl)bis(N-(2-hydroxyethyl)acetamide)
CID 22892556
N-(2-Hydroxyethyl)-N-methylglycinamide
CID 45087522
Carbaminoylmethylcholinchlorid
CID 129891233
N-[2-[2-hydroxyethyl(methyl)amino]ethyl]acetamide
CID 54192266
Methyl-4-carbamylcholine bromide
CID 129719216
2-[2,2-Difluoroethyl(2-hydroxyethyl)amino]acetamide
CID 107484929
2-(acetylamino)-N-(2-hydroxyethyl)acetamide
CID 4137910
Acetamide, 2,2'-[(2-hydroxyethyl)imino]bis[N,N-diethyl-
CID 11471740
2-[(2-hydroxyethyl)methylamino]Acetamide
CID 14799287

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl)-bis(2-hydroxyethyl)-methylazanium?
The IUPAC name of (2-amino-2-oxoethyl)-bis(2-hydroxyethyl)-methylazanium (CID 58954985) is (2-amino-2-oxoethyl)-bis(2-hydroxyethyl)-methylazanium.
What is the SMILES notation for (2-amino-2-oxoethyl)-bis(2-hydroxyethyl)-methylazanium?
The canonical SMILES for (2-amino-2-oxoethyl)-bis(2-hydroxyethyl)-methylazanium is C[N+](CCO)(CCO)CC(N)=O.
What is the InChIKey of (2-amino-2-oxoethyl)-bis(2-hydroxyethyl)-methylazanium?
The InChIKey is HILCAEVZGNFIHM-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H16N2O3/c1-9(2-4-10,3-5-11)6-7(8)12/h10-11H,2-6H2,1H3,(H-,8,12)/p+1.
What are the key properties of (2-amino-2-oxoethyl)-bis(2-hydroxyethyl)-methylazanium?
(2-amino-2-oxoethyl)-bis(2-hydroxyethyl)-methylazanium has a molecular weight of 177.22 g/mol, XLogP of -2.10, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl)-bis(2-hydroxyethyl)-methylazanium is sourced from PubChem (CID 58954985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).