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

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Related Compounds

3-[(2R)-2-aminopropyl]-1,3-oxazolidin-2-one
CID 28794902
3-[(2-oxo-1,3-oxazinan-3-yl)methyl]pentanoic acid
CID 81073507
3-(3-amino-2-hydroxypropyl)-1,3-oxazolidin-2-one
CID 43186640
3-(3-amino-2-methylpropyl)-1,3-oxazolidin-2-one
CID 43367837
3-(3-aminopropyl)-1,3-oxazinan-2-one
CID 62269865
2-(2-oxo-1,3-oxazinan-3-yl)acetohydrazide
CID 130710751
3-(2-amino-3-methoxypropyl)-1,3-oxazolidin-2-one
CID 107506091
3-(2,3-dihydroxy-2-methylpropyl)-1,3-oxazinan-2-one
CID 104550408
N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]acetamide
CID 110872096
3-(2-amino-2-cyclohexylethyl)-1,3-oxazolidin-2-one
CID 104747274
3-[3-(methylamino)propyl]-1,3-oxazinan-2-one
CID 61349236
3-[2-(azocan-1-yl)-2-oxoethyl]-1,3-oxazinan-2-one
CID 71974035

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).