bis(2-hydroxyethyl)-methylazanium;2-hydroxypropanoate

C8H19NO5 — CID 154724081

IUPACbis(2-hydroxyethyl)-methylazanium;2-hydroxypropanoate
SMILESCC(O)C(=O)[O-].C[NH+](CCO)CCO
InChIInChI=1S/C5H13NO2.C3H6O3/c1-6(2-4-7)3-5-8;1-2(4)3(5)6/h7-8H,2-5H2,1H3;2,4H,1H3,(H,5,6)
InChIKeyVHEBDCKMDXWLFT-UHFFFAOYSA-N
MW209.24 g/mol
LogP-4.40
Rot. Bonds5

About bis(2-hydroxyethyl)-methylazanium;2-hydroxypropanoate

bis(2-hydroxyethyl)-methylazanium;2-hydroxypropanoate (PubChem CID 154724081) has the molecular formula C8H19NO5 and a molecular weight of 209.24 g/mol. Its IUPAC name is bis(2-hydroxyethyl)-methylazanium;2-hydroxypropanoate.

Molecular Properties

Compound Namebis(2-hydroxyethyl)-methylazanium;2-hydroxypropanoate
PubChem CID154724081
Molecular FormulaC8H19NO5
Molecular Weight209.24 g/mol
Exact Mass209.13
IUPAC Namebis(2-hydroxyethyl)-methylazanium;2-hydroxypropanoate
SMILESCC(O)C(=O)[O-].C[NH+](CCO)CCO
InChIInChI=1S/C5H13NO2.C3H6O3/c1-6(2-4-7)3-5-8;1-2(4)3(5)6/h7-8H,2-5H2,1H3;2,4H,1H3,(H,5,6)
InChIKeyVHEBDCKMDXWLFT-UHFFFAOYSA-N
XLogP-4.40
TPSA105.26 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 5-4.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

Triethanolamine lactate
CID 159890
2-Propanol, 1,1'-iminobis-, acetate (1:1)
CID 23364159
3-[(3-Amino-3-oxopropyl)-(2-hydroxypropyl)amino]propanamide;oxalic acid
CID 11948751
3-(Tert-butylamino)propane-1,2-diol;oxalic acid
CID 44371415
Metoprolol IMpurity 11
CID 44371436
Choline lactate
CID 10313496
2-Hydroxyacetate;tris(2-hydroxyethyl)azanium
CID 53470594
Tris-(2-hydroxyethyl) ammonium lactate
CID 57357712
Bis(2-hydroxyethyl)-(2-hydroxypropyl)ammonium acetate
CID 91996815
Tris(2-hydroxyethyl)ammonium lactate
CID 73416324
2-(2-Hydroxyethylamino)ethanol;2-hydroxypropanoic acid
CID 11579279
Choline-glycolate
CID 57370633

Frequently Asked Questions

What is the IUPAC name of bis(2-hydroxyethyl)-methylazanium;2-hydroxypropanoate?
The IUPAC name of bis(2-hydroxyethyl)-methylazanium;2-hydroxypropanoate (CID 154724081) is bis(2-hydroxyethyl)-methylazanium;2-hydroxypropanoate.
What is the SMILES notation for bis(2-hydroxyethyl)-methylazanium;2-hydroxypropanoate?
The canonical SMILES for bis(2-hydroxyethyl)-methylazanium;2-hydroxypropanoate is CC(O)C(=O)[O-].C[NH+](CCO)CCO.
What is the InChIKey of bis(2-hydroxyethyl)-methylazanium;2-hydroxypropanoate?
The InChIKey is VHEBDCKMDXWLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2.C3H6O3/c1-6(2-4-7)3-5-8;1-2(4)3(5)6/h7-8H,2-5H2,1H3;2,4H,1H3,(H,5,6).
What are the key properties of bis(2-hydroxyethyl)-methylazanium;2-hydroxypropanoate?
bis(2-hydroxyethyl)-methylazanium;2-hydroxypropanoate has a molecular weight of 209.24 g/mol, XLogP of -4.40, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-hydroxyethyl)-methylazanium;2-hydroxypropanoate is sourced from PubChem (CID 154724081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).