3-(2,3-dihydroxy-2-methylpropyl)-1,3-oxazinan-2-one

C8H15NO4 — CID 104550408

IUPAC3-(2,3-dihydroxy-2-methylpropyl)-1,3-oxazinan-2-one
SMILESCC(O)(CO)CN1CCCOC1=O
InChIInChI=1S/C8H15NO4/c1-8(12,6-10)5-9-3-2-4-13-7(9)11/h10,12H,2-6H2,1H3
InChIKeyYARILEWYWRHUJH-UHFFFAOYSA-N
MW189.21 g/mol
LogP-0.43
Rot. Bonds3

About 3-(2,3-dihydroxy-2-methylpropyl)-1,3-oxazinan-2-one

3-(2,3-dihydroxy-2-methylpropyl)-1,3-oxazinan-2-one (PubChem CID 104550408) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 3-(2,3-dihydroxy-2-methylpropyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-(2,3-dihydroxy-2-methylpropyl)-1,3-oxazinan-2-one
PubChem CID104550408
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name3-(2,3-dihydroxy-2-methylpropyl)-1,3-oxazinan-2-one
SMILESCC(O)(CO)CN1CCCOC1=O
InChIInChI=1S/C8H15NO4/c1-8(12,6-10)5-9-3-2-4-13-7(9)11/h10,12H,2-6H2,1H3
InChIKeyYARILEWYWRHUJH-UHFFFAOYSA-N
XLogP-0.43
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-hydroxy-2-methylpropyl)-1,3-oxazolidin-2-one
CID 83815643
3-(1,3-dihydroxy-2-methylpropan-2-yl)-1,3-oxazinan-2-one
CID 104550724
3-(2-hydroxy-2,3-dimethylbutyl)-1,3-oxazolidin-2-one
CID 130168503
2,2-dimethyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanal
CID 87093982
N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]acetamide
CID 110872096
3-(2-amino-3-hydroxybutyl)-1,3-oxazinan-2-one
CID 64540654
2-(2-oxo-1,3-oxazinan-3-yl)acetohydrazide
CID 130710751
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
3-(3-aminopropyl)-1,3-oxazinan-2-one
CID 62269865
2-(2-oxo-1,3-oxazinan-3-yl)ethylcarbamic acid
CID 139512327
3-[(2-oxo-1,3-oxazinan-3-yl)methyl]pentanoic acid
CID 81073507

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroxy-2-methylpropyl)-1,3-oxazinan-2-one?
The IUPAC name of 3-(2,3-dihydroxy-2-methylpropyl)-1,3-oxazinan-2-one (CID 104550408) is 3-(2,3-dihydroxy-2-methylpropyl)-1,3-oxazinan-2-one.
What is the SMILES notation for 3-(2,3-dihydroxy-2-methylpropyl)-1,3-oxazinan-2-one?
The canonical SMILES for 3-(2,3-dihydroxy-2-methylpropyl)-1,3-oxazinan-2-one is CC(O)(CO)CN1CCCOC1=O.
What is the InChIKey of 3-(2,3-dihydroxy-2-methylpropyl)-1,3-oxazinan-2-one?
The InChIKey is YARILEWYWRHUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-8(12,6-10)5-9-3-2-4-13-7(9)11/h10,12H,2-6H2,1H3.
What are the key properties of 3-(2,3-dihydroxy-2-methylpropyl)-1,3-oxazinan-2-one?
3-(2,3-dihydroxy-2-methylpropyl)-1,3-oxazinan-2-one has a molecular weight of 189.21 g/mol, XLogP of -0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroxy-2-methylpropyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 104550408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).