2-amino-3-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-one

C11H20N2O2 — CID 66371799

IUPAC2-amino-3-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-one
SMILESCC(C)C(N)C(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C11H20N2O2/c1-7(2)10(12)11(14)13-5-8-3-4-9(6-13)15-8/h7-10H,3-6,12H2,1-2H3
InChIKeyYVHIZZDRMRHVBZ-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.36
Rot. Bonds2

About 2-amino-3-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-one

2-amino-3-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-one (PubChem CID 66371799) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-amino-3-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-one.

Molecular Properties

Compound Name2-amino-3-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-one
PubChem CID66371799
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-amino-3-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-one
SMILESCC(C)C(N)C(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C11H20N2O2/c1-7(2)10(12)11(14)13-5-8-3-4-9(6-13)15-8/h7-10H,3-6,12H2,1-2H3
InChIKeyYVHIZZDRMRHVBZ-UHFFFAOYSA-N
XLogP0.36
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-one
CID 79036110
2-amino-1-(3,4-dimethylpyrrolidin-1-yl)-3-methylbutan-1-one
CID 79180939
2-bromo-3-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-one
CID 66369961
2-bromo-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one
CID 107905419
3-amino-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-one
CID 66371606
(2R)-2-amino-3-methyl-1-(3-methylpyrrolidin-1-yl)butan-1-one
CID 79013338
2-amino-4-methoxy-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-one
CID 66370036
2-amino-3-methyl-1-thiomorpholin-4-ylbutan-1-one
CID 43210684
(2R)-2-amino-3-methyl-1-thiomorpholin-4-ylbutan-1-one
CID 28787387
2-amino-3-methyl-1-morpholin-4-ylbutan-1-one
CID 22492154
1-[(2S)-2-amino-3-methylbutanoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 61162789
2-amino-1-(3-hydroxy-4-methylpiperidin-1-yl)-3-methylbutan-1-one
CID 102957109

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-one?
The IUPAC name of 2-amino-3-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-one (CID 66371799) is 2-amino-3-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-one.
What is the SMILES notation for 2-amino-3-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-one?
The canonical SMILES for 2-amino-3-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-one is CC(C)C(N)C(=O)N1CC2CCC(C1)O2.
What is the InChIKey of 2-amino-3-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-one?
The InChIKey is YVHIZZDRMRHVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-7(2)10(12)11(14)13-5-8-3-4-9(6-13)15-8/h7-10H,3-6,12H2,1-2H3.
What are the key properties of 2-amino-3-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-one?
2-amino-3-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-one has a molecular weight of 212.29 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-one is sourced from PubChem (CID 66371799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).