1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-hydroxy-2-phenylethanone

C15H20N2O2 — CID 61234954

IUPAC1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-hydroxy-2-phenylethanone
SMILESNC1CC2CCC(C1)N2C(=O)C(O)c1ccccc1
InChIInChI=1S/C15H20N2O2/c16-11-8-12-6-7-13(9-11)17(12)15(19)14(18)10-4-2-1-3-5-10/h1-5,11-14,18H,6-9,16H2
InChIKeyVJGJNOLITFLHOJ-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.20
Rot. Bonds2

About 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-hydroxy-2-phenylethanone

1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-hydroxy-2-phenylethanone (PubChem CID 61234954) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-hydroxy-2-phenylethanone.

Molecular Properties

Compound Name1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-hydroxy-2-phenylethanone
PubChem CID61234954
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-hydroxy-2-phenylethanone
SMILESNC1CC2CCC(C1)N2C(=O)C(O)c1ccccc1
InChIInChI=1S/C15H20N2O2/c16-11-8-12-6-7-13(9-11)17(12)15(19)14(18)10-4-2-1-3-5-10/h1-5,11-14,18H,6-9,16H2
InChIKeyVJGJNOLITFLHOJ-UHFFFAOYSA-N
XLogP1.20
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-phenylethanone
CID 55237223
1-[(3S)-3-aminopyrrolidin-1-yl]-2-hydroxy-2-phenylethanone
CID 115302102
1-(3-aminopyrrolidin-1-yl)-2-hydroxy-2-phenylethanone
CID 62068275
1-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2,2-diphenylethanone
CID 98176888
1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-phenylprop-2-en-1-one
CID 61234050
1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-methyl-2-phenylpropan-1-one
CID 61234784
1-[(1R,5S)-3-amino-8-azabicyclo[3.2.1]octan-8-yl]-2,2-difluoroethanone
CID 130905866
2-[(2R)-2-hydroxy-2-phenylacetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 152752895
1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103310337
(5S)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 146425848
1-(2,6-dimethylpiperazin-1-yl)-2-hydroxy-2-phenylethanone
CID 63909410
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylacetate;hydrobromide
CID 5821

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-hydroxy-2-phenylethanone?
The IUPAC name of 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-hydroxy-2-phenylethanone (CID 61234954) is 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-hydroxy-2-phenylethanone.
What is the SMILES notation for 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-hydroxy-2-phenylethanone?
The canonical SMILES for 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-hydroxy-2-phenylethanone is NC1CC2CCC(C1)N2C(=O)C(O)c1ccccc1.
What is the InChIKey of 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-hydroxy-2-phenylethanone?
The InChIKey is VJGJNOLITFLHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c16-11-8-12-6-7-13(9-11)17(12)15(19)14(18)10-4-2-1-3-5-10/h1-5,11-14,18H,6-9,16H2.
What are the key properties of 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-hydroxy-2-phenylethanone?
1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-hydroxy-2-phenylethanone has a molecular weight of 260.34 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-hydroxy-2-phenylethanone is sourced from PubChem (CID 61234954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).