2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide

C15H27N3O2 — CID 61234449

IUPAC2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
SMILESCC(=O)C(NC(=O)CN1C2CCC1CC(N)C2)C(C)C
InChIInChI=1S/C15H27N3O2/c1-9(2)15(10(3)19)17-14(20)8-18-12-4-5-13(18)7-11(16)6-12/h9,11-13,15H,4-8,16H2,1-3H3,(H,17,20)
InChIKeyPMKPLBIISXFPNC-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.67
Rot. Bonds5

About 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide

2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide (PubChem CID 61234449) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
PubChem CID61234449
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
SMILESCC(=O)C(NC(=O)CN1C2CCC1CC(N)C2)C(C)C
InChIInChI=1S/C15H27N3O2/c1-9(2)15(10(3)19)17-14(20)8-18-12-4-5-13(18)7-11(16)6-12/h9,11-13,15H,4-8,16H2,1-3H3,(H,17,20)
InChIKeyPMKPLBIISXFPNC-UHFFFAOYSA-N
XLogP0.67
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide with MolForge

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Related Compounds

2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-ethylacetamide
CID 61235196
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 79119052
2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(tert-butylcarbamoyl)acetamide
CID 61236323
2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 64836246
2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(2-methylcyclohexyl)acetamide
CID 61235181
2-[4-(methoxymethyl)piperidin-1-yl]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 63971556
N-(2-methyl-4-oxopentan-3-yl)-2-(2-methylpyrrolidin-1-yl)acetamide
CID 54882690
2-(4-tert-butylpiperidin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 62091095
2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 61235743
2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(2-methoxyethylcarbamoyl)acetamide
CID 61234625
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 78998454
2-(4-ethyl-3-methylpiperazin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 63611158

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The IUPAC name of 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide (CID 61234449) is 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide.
What is the SMILES notation for 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The canonical SMILES for 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide is CC(=O)C(NC(=O)CN1C2CCC1CC(N)C2)C(C)C.
What is the InChIKey of 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The InChIKey is PMKPLBIISXFPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-9(2)15(10(3)19)17-14(20)8-18-12-4-5-13(18)7-11(16)6-12/h9,11-13,15H,4-8,16H2,1-3H3,(H,17,20).
What are the key properties of 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide?
2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide has a molecular weight of 281.40 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide is sourced from PubChem (CID 61234449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).