2-amino-4-methoxy-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-one

C11H20N2O3 — CID 66370036

IUPAC2-amino-4-methoxy-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-one
SMILESCOCCC(N)C(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C11H20N2O3/c1-15-5-4-10(12)11(14)13-6-8-2-3-9(7-13)16-8/h8-10H,2-7,12H2,1H3
InChIKeyAPZIRPKJBSCXKN-UHFFFAOYSA-N
MW228.29 g/mol
LogP-0.26
Rot. Bonds4

About 2-amino-4-methoxy-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-one

2-amino-4-methoxy-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-one (PubChem CID 66370036) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-amino-4-methoxy-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-one.

Molecular Properties

Compound Name2-amino-4-methoxy-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-one
PubChem CID66370036
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-amino-4-methoxy-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-one
SMILESCOCCC(N)C(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C11H20N2O3/c1-15-5-4-10(12)11(14)13-6-8-2-3-9(7-13)16-8/h8-10H,2-7,12H2,1H3
InChIKeyAPZIRPKJBSCXKN-UHFFFAOYSA-N
XLogP-0.26
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-one?
The IUPAC name of 2-amino-4-methoxy-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-one (CID 66370036) is 2-amino-4-methoxy-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-one.
What is the SMILES notation for 2-amino-4-methoxy-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-one?
The canonical SMILES for 2-amino-4-methoxy-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-one is COCCC(N)C(=O)N1CC2CCC(C1)O2.
What is the InChIKey of 2-amino-4-methoxy-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-one?
The InChIKey is APZIRPKJBSCXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-15-5-4-10(12)11(14)13-6-8-2-3-9(7-13)16-8/h8-10H,2-7,12H2,1H3.
What are the key properties of 2-amino-4-methoxy-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-one?
2-amino-4-methoxy-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-one has a molecular weight of 228.29 g/mol, XLogP of -0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-one is sourced from PubChem (CID 66370036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).