2-amino-4-methoxy-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butan-1-one

C13H25N3O2 — CID 79170242

IUPAC2-amino-4-methoxy-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butan-1-one
SMILESCOCCC(N)C(=O)N1CCC2CCC(C1)N2C
InChIInChI=1S/C13H25N3O2/c1-15-10-3-4-11(15)9-16(7-5-10)13(17)12(14)6-8-18-2/h10-12H,3-9,14H2,1-2H3
InChIKeyMWWMXZSQSMKGOB-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.05
Rot. Bonds4

About 2-amino-4-methoxy-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butan-1-one

2-amino-4-methoxy-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butan-1-one (PubChem CID 79170242) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-amino-4-methoxy-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butan-1-one.

Molecular Properties

Compound Name2-amino-4-methoxy-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butan-1-one
PubChem CID79170242
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-amino-4-methoxy-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butan-1-one
SMILESCOCCC(N)C(=O)N1CCC2CCC(C1)N2C
InChIInChI=1S/C13H25N3O2/c1-15-10-3-4-11(15)9-16(7-5-10)13(17)12(14)6-8-18-2/h10-12H,3-9,14H2,1-2H3
InChIKeyMWWMXZSQSMKGOB-UHFFFAOYSA-N
XLogP0.05
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-4-methoxy-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butan-1-one with MolForge

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Related Compounds

2-amino-3-methoxy-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one
CID 81101479
2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methoxybutan-1-one
CID 107217277
2-amino-5-methoxy-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-one
CID 81089522
(2R)-2-amino-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one
CID 79170601
1-(2-amino-4-methoxybutanoyl)piperidine-3-carboxylic acid
CID 62475203
1-(2-amino-4-methoxybutanoyl)-N,N-dimethylpiperidine-4-carboxamide
CID 62474132
2-amino-1-(3,4-dimethoxypyrrolidin-1-yl)-4-methoxybutan-1-one
CID 103533201
2-amino-4-methoxy-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-one
CID 66370036
9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 79116776
N-[1-(2-amino-5-methoxypentanoyl)pyrrolidin-3-yl]acetamide
CID 113402267
2-amino-1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-methoxypentan-1-one
CID 81088340
2-amino-4-methoxy-1-(3-propoxypiperidin-1-yl)butan-1-one
CID 62473426

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butan-1-one?
The IUPAC name of 2-amino-4-methoxy-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butan-1-one (CID 79170242) is 2-amino-4-methoxy-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butan-1-one.
What is the SMILES notation for 2-amino-4-methoxy-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butan-1-one?
The canonical SMILES for 2-amino-4-methoxy-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butan-1-one is COCCC(N)C(=O)N1CCC2CCC(C1)N2C.
What is the InChIKey of 2-amino-4-methoxy-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butan-1-one?
The InChIKey is MWWMXZSQSMKGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-15-10-3-4-11(15)9-16(7-5-10)13(17)12(14)6-8-18-2/h10-12H,3-9,14H2,1-2H3.
What are the key properties of 2-amino-4-methoxy-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butan-1-one?
2-amino-4-methoxy-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butan-1-one has a molecular weight of 255.36 g/mol, XLogP of 0.05, 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-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butan-1-one is sourced from PubChem (CID 79170242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).