bis(2-hydroxyethyl)azanium;2-hydroxypropanoate

C7H17NO5 — CID 87299300

IUPACbis(2-hydroxyethyl)azanium;2-hydroxypropanoate
SMILESCC(O)C(=O)[O-].OCC[NH2+]CCO
InChIInChI=1S/C4H11NO2.C3H6O3/c6-3-1-5-2-4-7;1-2(4)3(5)6/h5-7H,1-4H2;2,4H,1H3,(H,5,6)
InChIKeyWRGOQTYIHFPQKZ-UHFFFAOYSA-N
MW195.22 g/mol
LogP-4.35
Rot. Bonds5

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

bis(2-hydroxyethyl)azanium;2-hydroxypropanoate (PubChem CID 87299300) has the molecular formula C7H17NO5 and a molecular weight of 195.22 g/mol. Its IUPAC name is bis(2-hydroxyethyl)azanium;2-hydroxypropanoate.

Molecular Properties

Compound Namebis(2-hydroxyethyl)azanium;2-hydroxypropanoate
PubChem CID87299300
Molecular FormulaC7H17NO5
Molecular Weight195.22 g/mol
Exact Mass195.11
IUPAC Namebis(2-hydroxyethyl)azanium;2-hydroxypropanoate
SMILESCC(O)C(=O)[O-].OCC[NH2+]CCO
InChIInChI=1S/C4H11NO2.C3H6O3/c6-3-1-5-2-4-7;1-2(4)3(5)6/h5-7H,1-4H2;2,4H,1H3,(H,5,6)
InChIKeyWRGOQTYIHFPQKZ-UHFFFAOYSA-N
XLogP-4.35
TPSA117.43 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-4.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze bis(2-hydroxyethyl)azanium;2-hydroxypropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Propanoic acid, 2-hydroxy-, compd. with 2-aminoethanol (1:1)
CID 11275112
2-Propanol, 1,1'-iminobis-, acetate (1:1)
CID 23364159
3-(Tert-butylamino)propane-1,2-diol;oxalic acid
CID 44371415
Metoprolol IMpurity 11
CID 44371436
2-Hydroxyacetate;tris(2-hydroxyethyl)azanium
CID 53470594
2-Hydroxypropanoic acid--morpholine (1/1)
CID 53472037
Tris-(2-hydroxyethyl) ammonium lactate
CID 57357712
Ethanol, 2,2'-iminobis-, ethanedioate (1:?)
CID 169105
2-(2-Hydroxyethylamino)ethanol;2-hydroxypropanoic acid
CID 11579279
Methylisoserin
CID 20300639
Bis(2-hydroxyethyl)ammonium propionate
CID 21902849
Choline-glycolate
CID 57370633

Frequently Asked Questions

What is the IUPAC name of bis(2-hydroxyethyl)azanium;2-hydroxypropanoate?
The IUPAC name of bis(2-hydroxyethyl)azanium;2-hydroxypropanoate (CID 87299300) is bis(2-hydroxyethyl)azanium;2-hydroxypropanoate.
What is the SMILES notation for bis(2-hydroxyethyl)azanium;2-hydroxypropanoate?
The canonical SMILES for bis(2-hydroxyethyl)azanium;2-hydroxypropanoate is CC(O)C(=O)[O-].OCC[NH2+]CCO.
What is the InChIKey of bis(2-hydroxyethyl)azanium;2-hydroxypropanoate?
The InChIKey is WRGOQTYIHFPQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2.C3H6O3/c6-3-1-5-2-4-7;1-2(4)3(5)6/h5-7H,1-4H2;2,4H,1H3,(H,5,6).
What are the key properties of bis(2-hydroxyethyl)azanium;2-hydroxypropanoate?
bis(2-hydroxyethyl)azanium;2-hydroxypropanoate has a molecular weight of 195.22 g/mol, XLogP of -4.35, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-hydroxyethyl)azanium;2-hydroxypropanoate is sourced from PubChem (CID 87299300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).