9-[(2R)-2-aminopropanoyl]-3,9-diazabicyclo[4.2.1]nonan-4-one

C10H17N3O2 — CID 119335995

IUPAC9-[(2R)-2-aminopropanoyl]-3,9-diazabicyclo[4.2.1]nonan-4-one
SMILESC[C@@H](N)C(=O)N1C2CCC1CC(=O)NC2
InChIInChI=1S/C10H17N3O2/c1-6(11)10(15)13-7-2-3-8(13)5-12-9(14)4-7/h6-8H,2-5,11H2,1H3,(H,12,14)/t6-,7?,8?/m1/s1
InChIKeyOYXKOWGWIUIERD-JECWYVHBSA-N
MW211.26 g/mol
LogP-0.79
Rot. Bonds1

About 9-[(2R)-2-aminopropanoyl]-3,9-diazabicyclo[4.2.1]nonan-4-one

9-[(2R)-2-aminopropanoyl]-3,9-diazabicyclo[4.2.1]nonan-4-one (PubChem CID 119335995) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 9-[(2R)-2-aminopropanoyl]-3,9-diazabicyclo[4.2.1]nonan-4-one.

Molecular Properties

Compound Name9-[(2R)-2-aminopropanoyl]-3,9-diazabicyclo[4.2.1]nonan-4-one
PubChem CID119335995
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name9-[(2R)-2-aminopropanoyl]-3,9-diazabicyclo[4.2.1]nonan-4-one
SMILESC[C@@H](N)C(=O)N1C2CCC1CC(=O)NC2
InChIInChI=1S/C10H17N3O2/c1-6(11)10(15)13-7-2-3-8(13)5-12-9(14)4-7/h6-8H,2-5,11H2,1H3,(H,12,14)/t6-,7?,8?/m1/s1
InChIKeyOYXKOWGWIUIERD-JECWYVHBSA-N
XLogP-0.79
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9-(3-aminobutanoyl)-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 119805382
(2R)-2-amino-1-(8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 130949881
(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 55252779
(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 124710287
trans-(1R,2R)-2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl]cyclobutane-1-carboxylic acid
CID 129466723
9-(pyrrolidine-2-carbonyl)-3,9-diazabicyclo[4.2.1]nonan-4-one;hydrochloride
CID 119335990
(1S,6R)-9-[2-(3-fluoro-4-hydroxyphenyl)acetyl]-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 50958022
(1R,6S)-9-(2-thiophen-3-ylacetyl)-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 133139082
2-amino-1-(2,6-dimethylpiperazin-1-yl)propan-1-one
CID 130718849
(2S)-2-amino-1-(2,5-dimethylpyrrolidin-1-yl)propan-1-one;hydrochloride
CID 131089577
(1S,6R)-9-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 50984778
N-methyl-3-(4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl)-N-phenylbenzamide
CID 127405935

Frequently Asked Questions

What is the IUPAC name of 9-[(2R)-2-aminopropanoyl]-3,9-diazabicyclo[4.2.1]nonan-4-one?
The IUPAC name of 9-[(2R)-2-aminopropanoyl]-3,9-diazabicyclo[4.2.1]nonan-4-one (CID 119335995) is 9-[(2R)-2-aminopropanoyl]-3,9-diazabicyclo[4.2.1]nonan-4-one.
What is the SMILES notation for 9-[(2R)-2-aminopropanoyl]-3,9-diazabicyclo[4.2.1]nonan-4-one?
The canonical SMILES for 9-[(2R)-2-aminopropanoyl]-3,9-diazabicyclo[4.2.1]nonan-4-one is C[C@@H](N)C(=O)N1C2CCC1CC(=O)NC2.
What is the InChIKey of 9-[(2R)-2-aminopropanoyl]-3,9-diazabicyclo[4.2.1]nonan-4-one?
The InChIKey is OYXKOWGWIUIERD-JECWYVHBSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-6(11)10(15)13-7-2-3-8(13)5-12-9(14)4-7/h6-8H,2-5,11H2,1H3,(H,12,14)/t6-,7?,8?/m1/s1.
What are the key properties of 9-[(2R)-2-aminopropanoyl]-3,9-diazabicyclo[4.2.1]nonan-4-one?
9-[(2R)-2-aminopropanoyl]-3,9-diazabicyclo[4.2.1]nonan-4-one has a molecular weight of 211.26 g/mol, XLogP of -0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2R)-2-aminopropanoyl]-3,9-diazabicyclo[4.2.1]nonan-4-one is sourced from PubChem (CID 119335995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).