(2S)-2-amino-3-hydroxy-1-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)propan-1-one

C9H17N3O3 — CID 173096022

IUPAC(2S)-2-amino-3-hydroxy-1-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)propan-1-one
SMILESN[C@@H](CO)C(=O)N1CC2CNCC(C1)O2
InChIInChI=1S/C9H17N3O3/c10-8(5-13)9(14)12-3-6-1-11-2-7(4-12)15-6/h6-8,11,13H,1-5,10H2/t6?,7?,8-/m0/s1
InChIKeyXDSLKWNKZAYYFE-RRQHEKLDSA-N
MW215.25 g/mol
LogP-2.49
Rot. Bonds2

About (2S)-2-amino-3-hydroxy-1-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)propan-1-one

(2S)-2-amino-3-hydroxy-1-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)propan-1-one (PubChem CID 173096022) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is (2S)-2-amino-3-hydroxy-1-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-3-hydroxy-1-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)propan-1-one
PubChem CID173096022
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name(2S)-2-amino-3-hydroxy-1-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)propan-1-one
SMILESN[C@@H](CO)C(=O)N1CC2CNCC(C1)O2
InChIInChI=1S/C9H17N3O3/c10-8(5-13)9(14)12-3-6-1-11-2-7(4-12)15-6/h6-8,11,13H,1-5,10H2/t6?,7?,8-/m0/s1
InChIKeyXDSLKWNKZAYYFE-RRQHEKLDSA-N
XLogP-2.49
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-2.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-3-hydroxy-1-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)propan-1-one with MolForge

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Related Compounds

2-(methylamino)-1-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanone
CID 91159845
2-amino-4-methoxy-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-one
CID 66370036
2-chloro-2-methylpropane;9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxylic acid
CID 162147386
(2S)-2-amino-1-(3,7-diazabicyclo[3.3.1]nonan-3-yl)-4-methylpentan-1-one
CID 134857624
tert-butyl 9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate
CID 18540412
(2R)-2-amino-3-(4-hydroxyphenyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one
CID 104905308
2-amino-1-(3,4-dimethylpiperazin-1-yl)-3-hydroxypropan-1-one
CID 154650946
(2S)-2-amino-3-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-one
CID 79036110
2-amino-3-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-one
CID 66371799
2-amino-1-(2,6-dimethylmorpholin-4-yl)pentan-1-one
CID 43649994
2-amino-1-(3,4-dimethylpyrrolidin-1-yl)pentan-1-one
CID 79181119
2-amino-1-(2,6-dimethylmorpholin-4-yl)pentan-1-one;hydrochloride
CID 119261693

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-hydroxy-1-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)propan-1-one?
The IUPAC name of (2S)-2-amino-3-hydroxy-1-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)propan-1-one (CID 173096022) is (2S)-2-amino-3-hydroxy-1-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)propan-1-one.
What is the SMILES notation for (2S)-2-amino-3-hydroxy-1-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)propan-1-one?
The canonical SMILES for (2S)-2-amino-3-hydroxy-1-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)propan-1-one is N[C@@H](CO)C(=O)N1CC2CNCC(C1)O2.
What is the InChIKey of (2S)-2-amino-3-hydroxy-1-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)propan-1-one?
The InChIKey is XDSLKWNKZAYYFE-RRQHEKLDSA-N. The full InChI is InChI=1S/C9H17N3O3/c10-8(5-13)9(14)12-3-6-1-11-2-7(4-12)15-6/h6-8,11,13H,1-5,10H2/t6?,7?,8-/m0/s1.
What are the key properties of (2S)-2-amino-3-hydroxy-1-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)propan-1-one?
(2S)-2-amino-3-hydroxy-1-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)propan-1-one has a molecular weight of 215.25 g/mol, XLogP of -2.49, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-hydroxy-1-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)propan-1-one is sourced from PubChem (CID 173096022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).