(3-hydroxy-1-methyl-2-oxo-1,3-diazinan-4-yl) 2-methylpropanoate

C9H16N2O4 — CID 155406510

IUPAC(3-hydroxy-1-methyl-2-oxo-1,3-diazinan-4-yl) 2-methylpropanoate
SMILESCC(C)C(=O)OC1CCN(C)C(=O)N1O
InChIInChI=1S/C9H16N2O4/c1-6(2)8(12)15-7-4-5-10(3)9(13)11(7)14/h6-7,14H,4-5H2,1-3H3
InChIKeyOMGROAAIJCTPDD-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.66
Rot. Bonds2

About (3-hydroxy-1-methyl-2-oxo-1,3-diazinan-4-yl) 2-methylpropanoate

(3-hydroxy-1-methyl-2-oxo-1,3-diazinan-4-yl) 2-methylpropanoate (PubChem CID 155406510) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is (3-hydroxy-1-methyl-2-oxo-1,3-diazinan-4-yl) 2-methylpropanoate.

Molecular Properties

Compound Name(3-hydroxy-1-methyl-2-oxo-1,3-diazinan-4-yl) 2-methylpropanoate
PubChem CID155406510
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name(3-hydroxy-1-methyl-2-oxo-1,3-diazinan-4-yl) 2-methylpropanoate
SMILESCC(C)C(=O)OC1CCN(C)C(=O)N1O
InChIInChI=1S/C9H16N2O4/c1-6(2)8(12)15-7-4-5-10(3)9(13)11(7)14/h6-7,14H,4-5H2,1-3H3
InChIKeyOMGROAAIJCTPDD-UHFFFAOYSA-N
XLogP0.66
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-1-methyl-2-oxo-1,3-diazinan-4-yl) 2-methylpropanoate?
The IUPAC name of (3-hydroxy-1-methyl-2-oxo-1,3-diazinan-4-yl) 2-methylpropanoate (CID 155406510) is (3-hydroxy-1-methyl-2-oxo-1,3-diazinan-4-yl) 2-methylpropanoate.
What is the SMILES notation for (3-hydroxy-1-methyl-2-oxo-1,3-diazinan-4-yl) 2-methylpropanoate?
The canonical SMILES for (3-hydroxy-1-methyl-2-oxo-1,3-diazinan-4-yl) 2-methylpropanoate is CC(C)C(=O)OC1CCN(C)C(=O)N1O.
What is the InChIKey of (3-hydroxy-1-methyl-2-oxo-1,3-diazinan-4-yl) 2-methylpropanoate?
The InChIKey is OMGROAAIJCTPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-6(2)8(12)15-7-4-5-10(3)9(13)11(7)14/h6-7,14H,4-5H2,1-3H3.
What are the key properties of (3-hydroxy-1-methyl-2-oxo-1,3-diazinan-4-yl) 2-methylpropanoate?
(3-hydroxy-1-methyl-2-oxo-1,3-diazinan-4-yl) 2-methylpropanoate has a molecular weight of 216.24 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-1-methyl-2-oxo-1,3-diazinan-4-yl) 2-methylpropanoate is sourced from PubChem (CID 155406510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).