2-[2-hydroxyethyl(oxiran-2-yl)amino]ethanol

C6H13NO3 — CID 19812122

IUPAC2-[2-hydroxyethyl(oxiran-2-yl)amino]ethanol
SMILESOCCN(CCO)C1CO1
InChIInChI=1S/C6H13NO3/c8-3-1-7(2-4-9)6-5-10-6/h6,8-9H,1-5H2
InChIKeyTZKLVHOVJJGLQL-UHFFFAOYSA-N
MW147.17 g/mol
LogP-1.37
Rot. Bonds5

About 2-[2-hydroxyethyl(oxiran-2-yl)amino]ethanol

2-[2-hydroxyethyl(oxiran-2-yl)amino]ethanol (PubChem CID 19812122) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(oxiran-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl(oxiran-2-yl)amino]ethanol
PubChem CID19812122
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name2-[2-hydroxyethyl(oxiran-2-yl)amino]ethanol
SMILESOCCN(CCO)C1CO1
InChIInChI=1S/C6H13NO3/c8-3-1-7(2-4-9)6-5-10-6/h6,8-9H,1-5H2
InChIKeyTZKLVHOVJJGLQL-UHFFFAOYSA-N
XLogP-1.37
TPSA56.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(oxiran-2-yl)amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl(oxiran-2-yl)amino]ethanol (CID 19812122) is 2-[2-hydroxyethyl(oxiran-2-yl)amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl(oxiran-2-yl)amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl(oxiran-2-yl)amino]ethanol is OCCN(CCO)C1CO1.
What is the InChIKey of 2-[2-hydroxyethyl(oxiran-2-yl)amino]ethanol?
The InChIKey is TZKLVHOVJJGLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c8-3-1-7(2-4-9)6-5-10-6/h6,8-9H,1-5H2.
What are the key properties of 2-[2-hydroxyethyl(oxiran-2-yl)amino]ethanol?
2-[2-hydroxyethyl(oxiran-2-yl)amino]ethanol has a molecular weight of 147.17 g/mol, XLogP of -1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(oxiran-2-yl)amino]ethanol is sourced from PubChem (CID 19812122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).