(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

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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).