3-(2-aminoethylamino)oxolan-2-one

C6H12N2O2 — CID 123694689

IUPAC3-(2-aminoethylamino)oxolan-2-one
SMILESNCCNC1CCOC1=O
InChIInChI=1S/C6H12N2O2/c7-2-3-8-5-1-4-10-6(5)9/h5,8H,1-4,7H2
InChIKeyVZCHMOBBTAEXMO-UHFFFAOYSA-N
MW144.17 g/mol
LogP-1.15
Rot. Bonds3

About 3-(2-aminoethylamino)oxolan-2-one

3-(2-aminoethylamino)oxolan-2-one (PubChem CID 123694689) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 3-(2-aminoethylamino)oxolan-2-one.

Molecular Properties

Compound Name3-(2-aminoethylamino)oxolan-2-one
PubChem CID123694689
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name3-(2-aminoethylamino)oxolan-2-one
SMILESNCCNC1CCOC1=O
InChIInChI=1S/C6H12N2O2/c7-2-3-8-5-1-4-10-6(5)9/h5,8H,1-4,7H2
InChIKeyVZCHMOBBTAEXMO-UHFFFAOYSA-N
XLogP-1.15
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(2-aminoethylamino)oxolan-2-one 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 3-(2-aminoethylamino)oxolan-2-one?
The IUPAC name of 3-(2-aminoethylamino)oxolan-2-one (CID 123694689) is 3-(2-aminoethylamino)oxolan-2-one.
What is the SMILES notation for 3-(2-aminoethylamino)oxolan-2-one?
The canonical SMILES for 3-(2-aminoethylamino)oxolan-2-one is NCCNC1CCOC1=O.
What is the InChIKey of 3-(2-aminoethylamino)oxolan-2-one?
The InChIKey is VZCHMOBBTAEXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c7-2-3-8-5-1-4-10-6(5)9/h5,8H,1-4,7H2.
What are the key properties of 3-(2-aminoethylamino)oxolan-2-one?
3-(2-aminoethylamino)oxolan-2-one has a molecular weight of 144.17 g/mol, XLogP of -1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethylamino)oxolan-2-one is sourced from PubChem (CID 123694689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).