2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-methoxybutan-1-one

C11H20N2O2 — CID 62476618

IUPAC2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-methoxybutan-1-one
SMILESCOCCC(N)C(=O)N1CC2CCC1C2
InChIInChI=1S/C11H20N2O2/c1-15-5-4-10(12)11(14)13-7-8-2-3-9(13)6-8/h8-10H,2-7,12H2,1H3
InChIKeyTZUBOZRXXYDBJG-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.36
Rot. Bonds4

About 2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-methoxybutan-1-one

2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-methoxybutan-1-one (PubChem CID 62476618) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-methoxybutan-1-one.

Molecular Properties

Compound Name2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-methoxybutan-1-one
PubChem CID62476618
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-methoxybutan-1-one
SMILESCOCCC(N)C(=O)N1CC2CCC1C2
InChIInChI=1S/C11H20N2O2/c1-15-5-4-10(12)11(14)13-7-8-2-3-9(13)6-8/h8-10H,2-7,12H2,1H3
InChIKeyTZUBOZRXXYDBJG-UHFFFAOYSA-N
XLogP0.36
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

(2R)-2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methylbutan-1-one
CID 79012311
(2R)-2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-3,3-dimethylbutan-1-one
CID 103929735
2-amino-4-methoxy-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 62472696
2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methoxybutan-1-one
CID 62472697
2-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-methoxybutan-1-one
CID 107217915
(2S,4R)-1-(2-amino-4-methoxybutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 55259781
1-(2-amino-4-methoxybutanoyl)pyrrolidine-2-carboxamide
CID 62473351
2-amino-4-methoxy-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butan-1-one
CID 79170242
1-(2-azabicyclo[2.2.1]heptan-2-yl)-2-bromopropan-1-one
CID 107905003
N-methoxy-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 130614903
1-(2-azabicyclo[2.2.1]heptan-2-yl)-2,2-difluoroethanone
CID 103515712
1-(2-amino-4-methoxybutanoyl)-6-methylpiperidine-3-carboxamide
CID 62474841

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-methoxybutan-1-one?
The IUPAC name of 2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-methoxybutan-1-one (CID 62476618) is 2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-methoxybutan-1-one.
What is the SMILES notation for 2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-methoxybutan-1-one?
The canonical SMILES for 2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-methoxybutan-1-one is COCCC(N)C(=O)N1CC2CCC1C2.
What is the InChIKey of 2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-methoxybutan-1-one?
The InChIKey is TZUBOZRXXYDBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-15-5-4-10(12)11(14)13-7-8-2-3-9(13)6-8/h8-10H,2-7,12H2,1H3.
What are the key properties of 2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-methoxybutan-1-one?
2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-methoxybutan-1-one has a molecular weight of 212.29 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-methoxybutan-1-one is sourced from PubChem (CID 62476618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).