2-(2-hydroxyethylamino)ethanol;2-hydroxypropanoic acid

C7H17NO5 — CID 11579279

IUPAC2-(2-hydroxyethylamino)ethanol;2-hydroxypropanoic acid
SMILESCC(O)C(=O)O.OCCNCCO
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
MW195.21 g/mol
LogP-1.99
Rot. Bonds5

About 2-(2-hydroxyethylamino)ethanol;2-hydroxypropanoic acid

2-(2-hydroxyethylamino)ethanol;2-hydroxypropanoic acid (PubChem CID 11579279) has the molecular formula C7H17NO5 and a molecular weight of 195.21 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)ethanol;2-hydroxypropanoic acid.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)ethanol;2-hydroxypropanoic acid
PubChem CID11579279
Molecular FormulaC7H17NO5
Molecular Weight195.21 g/mol
Exact Mass195.11
IUPAC Name2-(2-hydroxyethylamino)ethanol;2-hydroxypropanoic acid
SMILESCC(O)C(=O)O.OCCNCCO
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-1.99
TPSA110.02 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 5-1.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-hydroxyethylamino)ethanol;2-hydroxypropanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)ethanol;2-hydroxypropanoic acid?
The IUPAC name of 2-(2-hydroxyethylamino)ethanol;2-hydroxypropanoic acid (CID 11579279) is 2-(2-hydroxyethylamino)ethanol;2-hydroxypropanoic acid.
What is the SMILES notation for 2-(2-hydroxyethylamino)ethanol;2-hydroxypropanoic acid?
The canonical SMILES for 2-(2-hydroxyethylamino)ethanol;2-hydroxypropanoic acid is CC(O)C(=O)O.OCCNCCO.
What is the InChIKey of 2-(2-hydroxyethylamino)ethanol;2-hydroxypropanoic acid?
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 2-(2-hydroxyethylamino)ethanol;2-hydroxypropanoic acid?
2-(2-hydroxyethylamino)ethanol;2-hydroxypropanoic acid has a molecular weight of 195.21 g/mol, XLogP of -1.99, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)ethanol;2-hydroxypropanoic acid is sourced from PubChem (CID 11579279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).