1-[(5S)-5-(aminomethyl)-1,3-oxazinan-3-yl]ethanone

C7H14N2O2 — CID 164818419

IUPAC1-[(5S)-5-(aminomethyl)-1,3-oxazinan-3-yl]ethanone
SMILESCC(=O)N1COC[C@@H](CN)C1
InChIInChI=1S/C7H14N2O2/c1-6(10)9-3-7(2-8)4-11-5-9/h7H,2-5,8H2,1H3/t7-/m0/s1
InChIKeyKNSKMYPDIQMDMW-ZETCQYMHSA-N
MW158.20 g/mol
LogP-0.60
Rot. Bonds1

About 1-[(5S)-5-(aminomethyl)-1,3-oxazinan-3-yl]ethanone

1-[(5S)-5-(aminomethyl)-1,3-oxazinan-3-yl]ethanone (PubChem CID 164818419) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-[(5S)-5-(aminomethyl)-1,3-oxazinan-3-yl]ethanone.

Molecular Properties

Compound Name1-[(5S)-5-(aminomethyl)-1,3-oxazinan-3-yl]ethanone
PubChem CID164818419
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name1-[(5S)-5-(aminomethyl)-1,3-oxazinan-3-yl]ethanone
SMILESCC(=O)N1COC[C@@H](CN)C1
InChIInChI=1S/C7H14N2O2/c1-6(10)9-3-7(2-8)4-11-5-9/h7H,2-5,8H2,1H3/t7-/m0/s1
InChIKeyKNSKMYPDIQMDMW-ZETCQYMHSA-N
XLogP-0.60
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5S)-5-(aminomethyl)-1,3-oxazinan-3-yl]ethanone?
The IUPAC name of 1-[(5S)-5-(aminomethyl)-1,3-oxazinan-3-yl]ethanone (CID 164818419) is 1-[(5S)-5-(aminomethyl)-1,3-oxazinan-3-yl]ethanone.
What is the SMILES notation for 1-[(5S)-5-(aminomethyl)-1,3-oxazinan-3-yl]ethanone?
The canonical SMILES for 1-[(5S)-5-(aminomethyl)-1,3-oxazinan-3-yl]ethanone is CC(=O)N1COC[C@@H](CN)C1.
What is the InChIKey of 1-[(5S)-5-(aminomethyl)-1,3-oxazinan-3-yl]ethanone?
The InChIKey is KNSKMYPDIQMDMW-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-6(10)9-3-7(2-8)4-11-5-9/h7H,2-5,8H2,1H3/t7-/m0/s1.
What are the key properties of 1-[(5S)-5-(aminomethyl)-1,3-oxazinan-3-yl]ethanone?
1-[(5S)-5-(aminomethyl)-1,3-oxazinan-3-yl]ethanone has a molecular weight of 158.20 g/mol, XLogP of -0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5S)-5-(aminomethyl)-1,3-oxazinan-3-yl]ethanone is sourced from PubChem (CID 164818419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).