3-(2-amino-3-hydroxybutyl)-1,3-oxazinan-2-one

C8H16N2O3 — CID 64540654

IUPAC3-(2-amino-3-hydroxybutyl)-1,3-oxazinan-2-one
SMILESCC(O)C(N)CN1CCCOC1=O
InChIInChI=1S/C8H16N2O3/c1-6(11)7(9)5-10-3-2-4-13-8(10)12/h6-7,11H,2-5,9H2,1H3
InChIKeySBRDTSJHLHORQC-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.46
Rot. Bonds3

About 3-(2-amino-3-hydroxybutyl)-1,3-oxazinan-2-one

3-(2-amino-3-hydroxybutyl)-1,3-oxazinan-2-one (PubChem CID 64540654) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-(2-amino-3-hydroxybutyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-(2-amino-3-hydroxybutyl)-1,3-oxazinan-2-one
PubChem CID64540654
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name3-(2-amino-3-hydroxybutyl)-1,3-oxazinan-2-one
SMILESCC(O)C(N)CN1CCCOC1=O
InChIInChI=1S/C8H16N2O3/c1-6(11)7(9)5-10-3-2-4-13-8(10)12/h6-7,11H,2-5,9H2,1H3
InChIKeySBRDTSJHLHORQC-UHFFFAOYSA-N
XLogP-0.46
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(2-amino-3-hydroxybutyl)-1,3-oxazinan-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-amino-3-hydroxybutyl)-1,3-oxazinan-2-one?
The IUPAC name of 3-(2-amino-3-hydroxybutyl)-1,3-oxazinan-2-one (CID 64540654) is 3-(2-amino-3-hydroxybutyl)-1,3-oxazinan-2-one.
What is the SMILES notation for 3-(2-amino-3-hydroxybutyl)-1,3-oxazinan-2-one?
The canonical SMILES for 3-(2-amino-3-hydroxybutyl)-1,3-oxazinan-2-one is CC(O)C(N)CN1CCCOC1=O.
What is the InChIKey of 3-(2-amino-3-hydroxybutyl)-1,3-oxazinan-2-one?
The InChIKey is SBRDTSJHLHORQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-6(11)7(9)5-10-3-2-4-13-8(10)12/h6-7,11H,2-5,9H2,1H3.
What are the key properties of 3-(2-amino-3-hydroxybutyl)-1,3-oxazinan-2-one?
3-(2-amino-3-hydroxybutyl)-1,3-oxazinan-2-one has a molecular weight of 188.23 g/mol, XLogP of -0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-3-hydroxybutyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 64540654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).