(2S)-1-[(1R,5S)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-methyl-3-morpholin-4-ylpropan-1-one

C15H27N3O2 — CID 125448598

IUPAC(2S)-1-[(1R,5S)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-methyl-3-morpholin-4-ylpropan-1-one
SMILESC[C@@H](CN1CCOCC1)C(=O)N1C[C@H]2CC[C@@H](C1)C2N
InChIInChI=1S/C15H27N3O2/c1-11(8-17-4-6-20-7-5-17)15(19)18-9-12-2-3-13(10-18)14(12)16/h11-14H,2-10,16H2,1H3/t11-,12-,13+,14?/m0/s1
InChIKeyTWYODHPAQWYGHW-ICIURTGMSA-N
MW281.40 g/mol
LogP0.15
Rot. Bonds3

About (2S)-1-[(1R,5S)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-methyl-3-morpholin-4-ylpropan-1-one

(2S)-1-[(1R,5S)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-methyl-3-morpholin-4-ylpropan-1-one (PubChem CID 125448598) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is (2S)-1-[(1R,5S)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-methyl-3-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-1-[(1R,5S)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-methyl-3-morpholin-4-ylpropan-1-one
PubChem CID125448598
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name(2S)-1-[(1R,5S)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-methyl-3-morpholin-4-ylpropan-1-one
SMILESC[C@@H](CN1CCOCC1)C(=O)N1C[C@H]2CC[C@@H](C1)C2N
InChIInChI=1S/C15H27N3O2/c1-11(8-17-4-6-20-7-5-17)15(19)18-9-12-2-3-13(10-18)14(12)16/h11-14H,2-10,16H2,1H3/t11-,12-,13+,14?/m0/s1
InChIKeyTWYODHPAQWYGHW-ICIURTGMSA-N
XLogP0.15
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[(1R,5S)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-methyl-3-morpholin-4-ylpropan-1-one with MolForge

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Related Compounds

2-methyl-3-morpholin-4-yl-1-[3-(4-phenylpiperazine-1-carbonyl)azetidin-1-yl]propan-1-one
CID 110246330
2-methyl-3-morpholin-4-ylpropanoic acid;hydrochloride
CID 6603192
(2S)-2,4-dimethyl-1-morpholin-4-ylhexan-3-one
CID 165399162
1-(2-methyl-3-pyrrolidin-1-ylpropanoyl)piperidine-4-carboxylic acid
CID 121494294
4-chlorobutyl (2R)-2-methyl-3-morpholin-4-ylpropanoate
CID 40543841
(2R)-1-[4-[(3R)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl]piperidin-1-yl]-2-methyl-3-morpholin-4-ylpropan-1-one
CID 95800212
2-amino-4-methyl-1-morpholin-4-ylpentan-3-one
CID 83686496
2-methyl-1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]hexan-1-one
CID 122157670
(2R)-2-amino-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 119875808
2-methyl-5-morpholin-4-ylpentanoic acid
CID 20751269
1-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-(azocan-1-yl)ethanone
CID 122557295
4-methyl-6-morpholin-4-ylhexan-3-one
CID 79416722

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(1R,5S)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-methyl-3-morpholin-4-ylpropan-1-one?
The IUPAC name of (2S)-1-[(1R,5S)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-methyl-3-morpholin-4-ylpropan-1-one (CID 125448598) is (2S)-1-[(1R,5S)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-methyl-3-morpholin-4-ylpropan-1-one.
What is the SMILES notation for (2S)-1-[(1R,5S)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-methyl-3-morpholin-4-ylpropan-1-one?
The canonical SMILES for (2S)-1-[(1R,5S)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-methyl-3-morpholin-4-ylpropan-1-one is C[C@@H](CN1CCOCC1)C(=O)N1C[C@H]2CC[C@@H](C1)C2N.
What is the InChIKey of (2S)-1-[(1R,5S)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-methyl-3-morpholin-4-ylpropan-1-one?
The InChIKey is TWYODHPAQWYGHW-ICIURTGMSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-11(8-17-4-6-20-7-5-17)15(19)18-9-12-2-3-13(10-18)14(12)16/h11-14H,2-10,16H2,1H3/t11-,12-,13+,14?/m0/s1.
What are the key properties of (2S)-1-[(1R,5S)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-methyl-3-morpholin-4-ylpropan-1-one?
(2S)-1-[(1R,5S)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-methyl-3-morpholin-4-ylpropan-1-one has a molecular weight of 281.40 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(1R,5S)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-methyl-3-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 125448598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).