1-amino-2-(2-hydroxyethoxy)ethanol

C4H11NO3 — CID 15869812

IUPAC1-amino-2-(2-hydroxyethoxy)ethanol
SMILESNC(O)COCCO
InChIInChI=1S/C4H11NO3/c5-4(7)3-8-2-1-6/h4,6-7H,1-3,5H2
InChIKeyYKXYFUCKWRACDY-UHFFFAOYSA-N
MW121.14 g/mol
LogP-1.73
Rot. Bonds4

About 1-amino-2-(2-hydroxyethoxy)ethanol

1-amino-2-(2-hydroxyethoxy)ethanol (PubChem CID 15869812) has the molecular formula C4H11NO3 and a molecular weight of 121.14 g/mol. Its IUPAC name is 1-amino-2-(2-hydroxyethoxy)ethanol.

Molecular Properties

Compound Name1-amino-2-(2-hydroxyethoxy)ethanol
PubChem CID15869812
Molecular FormulaC4H11NO3
Molecular Weight121.14 g/mol
Exact Mass121.07
IUPAC Name1-amino-2-(2-hydroxyethoxy)ethanol
SMILESNC(O)COCCO
InChIInChI=1S/C4H11NO3/c5-4(7)3-8-2-1-6/h4,6-7H,1-3,5H2
InChIKeyYKXYFUCKWRACDY-UHFFFAOYSA-N
XLogP-1.73
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 5-1.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-amino-2-(2-hydroxyethoxy)ethanol 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 1-amino-2-(2-hydroxyethoxy)ethanol?
The IUPAC name of 1-amino-2-(2-hydroxyethoxy)ethanol (CID 15869812) is 1-amino-2-(2-hydroxyethoxy)ethanol.
What is the SMILES notation for 1-amino-2-(2-hydroxyethoxy)ethanol?
The canonical SMILES for 1-amino-2-(2-hydroxyethoxy)ethanol is NC(O)COCCO.
What is the InChIKey of 1-amino-2-(2-hydroxyethoxy)ethanol?
The InChIKey is YKXYFUCKWRACDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO3/c5-4(7)3-8-2-1-6/h4,6-7H,1-3,5H2.
What are the key properties of 1-amino-2-(2-hydroxyethoxy)ethanol?
1-amino-2-(2-hydroxyethoxy)ethanol has a molecular weight of 121.14 g/mol, XLogP of -1.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2-hydroxyethoxy)ethanol is sourced from PubChem (CID 15869812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).