N-(2-amino-2-oxoethyl)-2-azabicyclo[2.1.1]hexane-1-carboxamide

C8H13N3O2 — CID 164655186

IUPACN-(2-amino-2-oxoethyl)-2-azabicyclo[2.1.1]hexane-1-carboxamide
SMILESNC(=O)CNC(=O)C12CC(CN1)C2
InChIInChI=1S/C8H13N3O2/c9-6(12)4-10-7(13)8-1-5(2-8)3-11-8/h5,11H,1-4H2,(H2,9,12)(H,10,13)
InChIKeyZKHFAJDZWAQQBU-UHFFFAOYSA-N
MW183.21 g/mol
LogP-1.66
Rot. Bonds3

About N-(2-amino-2-oxoethyl)-2-azabicyclo[2.1.1]hexane-1-carboxamide

N-(2-amino-2-oxoethyl)-2-azabicyclo[2.1.1]hexane-1-carboxamide (PubChem CID 164655186) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2-azabicyclo[2.1.1]hexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2-azabicyclo[2.1.1]hexane-1-carboxamide
PubChem CID164655186
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC NameN-(2-amino-2-oxoethyl)-2-azabicyclo[2.1.1]hexane-1-carboxamide
SMILESNC(=O)CNC(=O)C12CC(CN1)C2
InChIInChI=1S/C8H13N3O2/c9-6(12)4-10-7(13)8-1-5(2-8)3-11-8/h5,11H,1-4H2,(H2,9,12)(H,10,13)
InChIKeyZKHFAJDZWAQQBU-UHFFFAOYSA-N
XLogP-1.66
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-1.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-azabicyclo[2.1.1]hexane-1-carbohydrazide
CID 164655163
1-(2-azabicyclo[2.1.1]hexan-1-yl)ethanone
CID 59074893
(2R)-N-(2-amino-2-oxoethyl)azetidine-2-carboxamide;hydrochloride
CID 130742026
(4R)-2-azabicyclo[2.2.1]heptane-1-carboxylic acid
CID 138645603
N-(2-amino-2-sulfanylideneethyl)adamantane-1-carboxamide
CID 61126891
(3S)-N-(2-amino-2-oxoethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 130670847
(1S,2S,4S)-N-(2-amino-2-oxoethyl)-2-benzylbicyclo[2.2.1]heptane-2-carboxamide
CID 98773407
N-(2-amino-2-oxoethyl)-5-methylpiperazine-2-carboxamide
CID 63102938
N-(2-amino-2-oxoethyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 110473843
N-(2-amino-2-oxoethyl)-3-methylsulfanylpropanamide
CID 60668278
N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide
CID 18324145
N-(2-amino-2-oxoethyl)-5-oxopiperazine-2-carboxamide
CID 107433351

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2-azabicyclo[2.1.1]hexane-1-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2-azabicyclo[2.1.1]hexane-1-carboxamide (CID 164655186) is N-(2-amino-2-oxoethyl)-2-azabicyclo[2.1.1]hexane-1-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2-azabicyclo[2.1.1]hexane-1-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2-azabicyclo[2.1.1]hexane-1-carboxamide is NC(=O)CNC(=O)C12CC(CN1)C2.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2-azabicyclo[2.1.1]hexane-1-carboxamide?
The InChIKey is ZKHFAJDZWAQQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c9-6(12)4-10-7(13)8-1-5(2-8)3-11-8/h5,11H,1-4H2,(H2,9,12)(H,10,13).
What are the key properties of N-(2-amino-2-oxoethyl)-2-azabicyclo[2.1.1]hexane-1-carboxamide?
N-(2-amino-2-oxoethyl)-2-azabicyclo[2.1.1]hexane-1-carboxamide has a molecular weight of 183.21 g/mol, XLogP of -1.66, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2-azabicyclo[2.1.1]hexane-1-carboxamide is sourced from PubChem (CID 164655186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).