(5R)-5-(aminomethyl)-3-tert-butyl-1,3-oxazinan-2-one

C9H18N2O2 — CID 89021417

IUPAC(5R)-5-(aminomethyl)-3-tert-butyl-1,3-oxazinan-2-one
SMILESCC(C)(C)N1C[C@@H](CN)COC1=O
InChIInChI=1S/C9H18N2O2/c1-9(2,3)11-5-7(4-10)6-13-8(11)12/h7H,4-6,10H2,1-3H3/t7-/m1/s1
InChIKeyRXQXPEYMAGYJDD-SSDOTTSWSA-N
MW186.25 g/mol
LogP0.81
Rot. Bonds1

About (5R)-5-(aminomethyl)-3-tert-butyl-1,3-oxazinan-2-one

(5R)-5-(aminomethyl)-3-tert-butyl-1,3-oxazinan-2-one (PubChem CID 89021417) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (5R)-5-(aminomethyl)-3-tert-butyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(5R)-5-(aminomethyl)-3-tert-butyl-1,3-oxazinan-2-one
PubChem CID89021417
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name(5R)-5-(aminomethyl)-3-tert-butyl-1,3-oxazinan-2-one
SMILESCC(C)(C)N1C[C@@H](CN)COC1=O
InChIInChI=1S/C9H18N2O2/c1-9(2,3)11-5-7(4-10)6-13-8(11)12/h7H,4-6,10H2,1-3H3/t7-/m1/s1
InChIKeyRXQXPEYMAGYJDD-SSDOTTSWSA-N
XLogP0.81
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(aminomethyl)-3-tert-butyl-1,3-oxazinan-2-one?
The IUPAC name of (5R)-5-(aminomethyl)-3-tert-butyl-1,3-oxazinan-2-one (CID 89021417) is (5R)-5-(aminomethyl)-3-tert-butyl-1,3-oxazinan-2-one.
What is the SMILES notation for (5R)-5-(aminomethyl)-3-tert-butyl-1,3-oxazinan-2-one?
The canonical SMILES for (5R)-5-(aminomethyl)-3-tert-butyl-1,3-oxazinan-2-one is CC(C)(C)N1C[C@@H](CN)COC1=O.
What is the InChIKey of (5R)-5-(aminomethyl)-3-tert-butyl-1,3-oxazinan-2-one?
The InChIKey is RXQXPEYMAGYJDD-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-9(2,3)11-5-7(4-10)6-13-8(11)12/h7H,4-6,10H2,1-3H3/t7-/m1/s1.
What are the key properties of (5R)-5-(aminomethyl)-3-tert-butyl-1,3-oxazinan-2-one?
(5R)-5-(aminomethyl)-3-tert-butyl-1,3-oxazinan-2-one has a molecular weight of 186.25 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(aminomethyl)-3-tert-butyl-1,3-oxazinan-2-one is sourced from PubChem (CID 89021417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).