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

C11H20N2O2 — CID 79036110

IUPAC(2S)-2-amino-3-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-one
SMILESCC(C)[C@H](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/t8?,9?,10-/m0/s1
InChIKeyYVHIZZDRMRHVBZ-RTBKNWGFSA-N
MW212.29 g/mol
LogP0.36
Rot. Bonds2

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

(2S)-2-amino-3-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-one (PubChem CID 79036110) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-one
PubChem CID79036110
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name(2S)-2-amino-3-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-one
SMILESCC(C)[C@H](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/t8?,9?,10-/m0/s1
InChIKeyYVHIZZDRMRHVBZ-RTBKNWGFSA-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

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

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Related Compounds

2-amino-3-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-one
CID 66371799
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
2-amino-3-methyl-1-morpholin-4-ylbutan-1-one
CID 22492154
(2R)-2-amino-3-methyl-1-thiomorpholin-4-ylbutan-1-one
CID 28787387
(2S)-2-amino-3-methyl-1-(2-methylmorpholin-4-yl)butan-1-one
CID 61148534
1-[(2S)-2-amino-3-methylbutanoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 61162789

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-one?
The IUPAC name of (2S)-2-amino-3-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-one (CID 79036110) is (2S)-2-amino-3-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-one.
What is the SMILES notation for (2S)-2-amino-3-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-one?
The canonical SMILES for (2S)-2-amino-3-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-one is CC(C)[C@H](N)C(=O)N1CC2CCC(C1)O2.
What is the InChIKey of (2S)-2-amino-3-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-one?
The InChIKey is YVHIZZDRMRHVBZ-RTBKNWGFSA-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/t8?,9?,10-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-one?
(2S)-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 (2S)-2-amino-3-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-one is sourced from PubChem (CID 79036110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).