2-amino-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-methoxypropan-1-one

C11H20N2O2 — CID 120990934

IUPAC2-amino-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-methoxypropan-1-one
SMILESCOCC(N)C(=O)N1CC2C(C1)C2(C)C
InChIInChI=1S/C11H20N2O2/c1-11(2)7-4-13(5-8(7)11)10(14)9(12)6-15-3/h7-9H,4-6,12H2,1-3H3
InChIKeyZTEIUAVXMUPPHP-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.07
Rot. Bonds3

About 2-amino-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-methoxypropan-1-one

2-amino-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-methoxypropan-1-one (PubChem CID 120990934) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-amino-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-methoxypropan-1-one.

Molecular Properties

Compound Name2-amino-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-methoxypropan-1-one
PubChem CID120990934
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-amino-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-methoxypropan-1-one
SMILESCOCC(N)C(=O)N1CC2C(C1)C2(C)C
InChIInChI=1S/C11H20N2O2/c1-11(2)7-4-13(5-8(7)11)10(14)9(12)6-15-3/h7-9H,4-6,12H2,1-3H3
InChIKeyZTEIUAVXMUPPHP-UHFFFAOYSA-N
XLogP0.07
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methoxypropan-1-one
CID 107217182
2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-3-methoxypropan-1-one
CID 81088783
2-amino-1-(2-ethylmorpholin-4-yl)-3-methoxypropan-1-one;hydrochloride
CID 120984960
2-amino-1-(3-ethyl-3-methylpyrrolidin-1-yl)-3-methoxypropan-1-one;hydrochloride
CID 120992499
2-amino-3-methoxy-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one
CID 81101479
2-amino-1-(3,4-dimethoxypyrrolidin-1-yl)-4-methoxybutan-1-one
CID 103533201
1-(2-amino-3-methoxypropanoyl)piperidine-3-carboxamide
CID 81081318
2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-3-methoxypropan-1-one;hydrochloride
CID 120991246
2-amino-3-methoxy-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 81082796
3-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-oxopropanoic acid
CID 130964309
2-amino-1-(4-cyclohexylpiperazin-1-yl)-3-methoxypropan-1-one
CID 120992943
(2S,4R)-1-(2-amino-3-methoxypropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 81088680

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-methoxypropan-1-one?
The IUPAC name of 2-amino-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-methoxypropan-1-one (CID 120990934) is 2-amino-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-methoxypropan-1-one.
What is the SMILES notation for 2-amino-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-methoxypropan-1-one?
The canonical SMILES for 2-amino-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-methoxypropan-1-one is COCC(N)C(=O)N1CC2C(C1)C2(C)C.
What is the InChIKey of 2-amino-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-methoxypropan-1-one?
The InChIKey is ZTEIUAVXMUPPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-11(2)7-4-13(5-8(7)11)10(14)9(12)6-15-3/h7-9H,4-6,12H2,1-3H3.
What are the key properties of 2-amino-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-methoxypropan-1-one?
2-amino-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-methoxypropan-1-one has a molecular weight of 212.29 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-methoxypropan-1-one is sourced from PubChem (CID 120990934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).