(5S)-5-(aminomethyl)-3-methyl-1,3-oxazinan-2-one

C6H12N2O2 — CID 58093298

IUPAC(5S)-5-(aminomethyl)-3-methyl-1,3-oxazinan-2-one
SMILESCN1C[C@H](CN)COC1=O
InChIInChI=1S/C6H12N2O2/c1-8-3-5(2-7)4-10-6(8)9/h5H,2-4,7H2,1H3/t5-/m0/s1
InChIKeyZKTOABQEGSVXST-YFKPBYRVSA-N
MW144.17 g/mol
LogP-0.36
Rot. Bonds1

About (5S)-5-(aminomethyl)-3-methyl-1,3-oxazinan-2-one

(5S)-5-(aminomethyl)-3-methyl-1,3-oxazinan-2-one (PubChem CID 58093298) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is (5S)-5-(aminomethyl)-3-methyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(5S)-5-(aminomethyl)-3-methyl-1,3-oxazinan-2-one
PubChem CID58093298
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name(5S)-5-(aminomethyl)-3-methyl-1,3-oxazinan-2-one
SMILESCN1C[C@H](CN)COC1=O
InChIInChI=1S/C6H12N2O2/c1-8-3-5(2-7)4-10-6(8)9/h5H,2-4,7H2,1H3/t5-/m0/s1
InChIKeyZKTOABQEGSVXST-YFKPBYRVSA-N
XLogP-0.36
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-Aminoethyl)-1,3-oxazinan-2-one
CID 28064014
2-methylpropyl N-(3-aminopropyl)-N-methylcarbamate
CID 28387453
5-Methyl-1,3-oxazinan-2-one
CID 55299847
3-(3-Aminopropyl)-1,3-oxazinan-2-one
CID 62269865
(5R)-5-(aminomethyl)-3-methyl-1,3-oxazinan-2-one
CID 66594957
(5S)-5-(aminomethyl)-1,3-oxazinan-2-one
CID 66596503
(5R)-5-(aminomethyl)-1,3-oxazinan-2-one
CID 66596504
(5R)-5-(aminomethyl)-3-ethyl-1,3-oxazinan-2-one
CID 68150942
5-(Aminomethyl)-1,3-oxazinan-2-one
CID 77151109
(5R)-5-(aminomethyl)-3-tert-butyl-1,3-oxazinan-2-one
CID 89021417
(5S)-5-methyl-1,3-oxazinan-2-one
CID 89476641
(5S)-5-(aminomethyl)-3-iodo-1,3-oxazinan-2-one
CID 118458095

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(aminomethyl)-3-methyl-1,3-oxazinan-2-one?
The IUPAC name of (5S)-5-(aminomethyl)-3-methyl-1,3-oxazinan-2-one (CID 58093298) is (5S)-5-(aminomethyl)-3-methyl-1,3-oxazinan-2-one.
What is the SMILES notation for (5S)-5-(aminomethyl)-3-methyl-1,3-oxazinan-2-one?
The canonical SMILES for (5S)-5-(aminomethyl)-3-methyl-1,3-oxazinan-2-one is CN1C[C@H](CN)COC1=O.
What is the InChIKey of (5S)-5-(aminomethyl)-3-methyl-1,3-oxazinan-2-one?
The InChIKey is ZKTOABQEGSVXST-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-8-3-5(2-7)4-10-6(8)9/h5H,2-4,7H2,1H3/t5-/m0/s1.
What are the key properties of (5S)-5-(aminomethyl)-3-methyl-1,3-oxazinan-2-one?
(5S)-5-(aminomethyl)-3-methyl-1,3-oxazinan-2-one has a molecular weight of 144.17 g/mol, XLogP of -0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(aminomethyl)-3-methyl-1,3-oxazinan-2-one is sourced from PubChem (CID 58093298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).