3-amino-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)butan-1-one

C13H25N3O2 — CID 119899615

IUPAC3-amino-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)butan-1-one
SMILESCC(N)CC(=O)N1CC(C)C(N2CCOCC2)C1
InChIInChI=1S/C13H25N3O2/c1-10-8-16(13(17)7-11(2)14)9-12(10)15-3-5-18-6-4-15/h10-12H,3-9,14H2,1-2H3
InChIKeyGAQZJZAFJAIMDK-UHFFFAOYSA-N
MW255.36 g/mol
LogP-0.10
Rot. Bonds3

About 3-amino-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)butan-1-one

3-amino-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)butan-1-one (PubChem CID 119899615) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-amino-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)butan-1-one.

Molecular Properties

Compound Name3-amino-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)butan-1-one
PubChem CID119899615
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name3-amino-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)butan-1-one
SMILESCC(N)CC(=O)N1CC(C)C(N2CCOCC2)C1
InChIInChI=1S/C13H25N3O2/c1-10-8-16(13(17)7-11(2)14)9-12(10)15-3-5-18-6-4-15/h10-12H,3-9,14H2,1-2H3
InChIKeyGAQZJZAFJAIMDK-UHFFFAOYSA-N
XLogP-0.10
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)propan-1-one
CID 119899591
2-(4-aminophenyl)-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)ethanone
CID 119899571
3-amino-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butan-1-one;hydrochloride
CID 120874141
2-(2-methoxyethylamino)-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)ethanone;dihydrochloride
CID 119899622
(2R)-1-[(3S,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]-2-propylsulfonylpropan-1-one
CID 100837739
(2S)-2-(cyclopropylmethoxy)-1-[(3S,4S)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]propan-1-one
CID 129425408
3-amino-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-one
CID 66371606
[4-[2-[(3S,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]-2-oxoethyl]phenyl] acetate
CID 124882838
1-(1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindol-2-yl)-3-aminobutan-1-one;hydrochloride
CID 119803653
(3S)-3-[(3R,4S)-3-methyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]piperidine-1-carboxamide
CID 129425637
3-amino-1-(2-ethyl-6-methylmorpholin-4-yl)butan-1-one;hydrochloride
CID 119751436
4-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)morpholine
CID 167251730

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)butan-1-one?
The IUPAC name of 3-amino-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)butan-1-one (CID 119899615) is 3-amino-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)butan-1-one.
What is the SMILES notation for 3-amino-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)butan-1-one?
The canonical SMILES for 3-amino-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)butan-1-one is CC(N)CC(=O)N1CC(C)C(N2CCOCC2)C1.
What is the InChIKey of 3-amino-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)butan-1-one?
The InChIKey is GAQZJZAFJAIMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-10-8-16(13(17)7-11(2)14)9-12(10)15-3-5-18-6-4-15/h10-12H,3-9,14H2,1-2H3.
What are the key properties of 3-amino-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)butan-1-one?
3-amino-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)butan-1-one has a molecular weight of 255.36 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)butan-1-one is sourced from PubChem (CID 119899615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).