2-amino-1-[(1R,5R)-3-oxa-6-azabicyclo[3.1.1]heptan-6-yl]ethanone

C7H12N2O2 — CID 129498292

IUPAC2-amino-1-[(1R,5R)-3-oxa-6-azabicyclo[3.1.1]heptan-6-yl]ethanone
SMILESNCC(=O)N1[C@H]2COC[C@H]1C2
InChIInChI=1S/C7H12N2O2/c8-2-7(10)9-5-1-6(9)4-11-3-5/h5-6H,1-4,8H2/t5-,6-/m1/s1
InChIKeyPJOMPNARPONZAM-PHDIDXHHSA-N
MW156.18 g/mol
LogP-1.06
Rot. Bonds1

About 2-amino-1-[(1R,5R)-3-oxa-6-azabicyclo[3.1.1]heptan-6-yl]ethanone

2-amino-1-[(1R,5R)-3-oxa-6-azabicyclo[3.1.1]heptan-6-yl]ethanone (PubChem CID 129498292) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 2-amino-1-[(1R,5R)-3-oxa-6-azabicyclo[3.1.1]heptan-6-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[(1R,5R)-3-oxa-6-azabicyclo[3.1.1]heptan-6-yl]ethanone
PubChem CID129498292
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name2-amino-1-[(1R,5R)-3-oxa-6-azabicyclo[3.1.1]heptan-6-yl]ethanone
SMILESNCC(=O)N1[C@H]2COC[C@H]1C2
InChIInChI=1S/C7H12N2O2/c8-2-7(10)9-5-1-6(9)4-11-3-5/h5-6H,1-4,8H2/t5-,6-/m1/s1
InChIKeyPJOMPNARPONZAM-PHDIDXHHSA-N
XLogP-1.06
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 5-1.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-1-[(1R,5R)-3-oxa-6-azabicyclo[3.1.1]heptan-6-yl]ethanone with MolForge

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Related Compounds

2-(methylamino)-1-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)ethanone
CID 121201228
3-oxa-6-azabicyclo[3.1.1]heptane-6-carboxylic acid
CID 176998783
1-[(1R,5R)-3-oxa-6-azabicyclo[3.1.1]heptan-6-yl]-2-piperidin-4-ylethanone
CID 129496953
1-[(3aR,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-aminoethanone
CID 129495718
2-methyl-1-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)propan-1-one
CID 126995610
tert-butyl 7-(aminomethyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 117275876
1,10-bis(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)decane-1,10-dione
CID 166216788
3-oxa-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 154014382
3-oxa-6-azabicyclo[3.1.1]heptan-6-yl(piperidin-3-yl)methanone
CID 121201235
1-(2-aminoacetyl)pyrrolidine-2,5-dicarbonitrile
CID 70210016
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-1-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)ethanone
CID 122140450
1-[(5aR,8aS)-2,3,5,5a,6,7,8,8a-octahydrocyclopenta[e][1,4]oxazepin-1-yl]-2-aminoethanone
CID 129499918

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(1R,5R)-3-oxa-6-azabicyclo[3.1.1]heptan-6-yl]ethanone?
The IUPAC name of 2-amino-1-[(1R,5R)-3-oxa-6-azabicyclo[3.1.1]heptan-6-yl]ethanone (CID 129498292) is 2-amino-1-[(1R,5R)-3-oxa-6-azabicyclo[3.1.1]heptan-6-yl]ethanone.
What is the SMILES notation for 2-amino-1-[(1R,5R)-3-oxa-6-azabicyclo[3.1.1]heptan-6-yl]ethanone?
The canonical SMILES for 2-amino-1-[(1R,5R)-3-oxa-6-azabicyclo[3.1.1]heptan-6-yl]ethanone is NCC(=O)N1[C@H]2COC[C@H]1C2.
What is the InChIKey of 2-amino-1-[(1R,5R)-3-oxa-6-azabicyclo[3.1.1]heptan-6-yl]ethanone?
The InChIKey is PJOMPNARPONZAM-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H12N2O2/c8-2-7(10)9-5-1-6(9)4-11-3-5/h5-6H,1-4,8H2/t5-,6-/m1/s1.
What are the key properties of 2-amino-1-[(1R,5R)-3-oxa-6-azabicyclo[3.1.1]heptan-6-yl]ethanone?
2-amino-1-[(1R,5R)-3-oxa-6-azabicyclo[3.1.1]heptan-6-yl]ethanone has a molecular weight of 156.18 g/mol, XLogP of -1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(1R,5R)-3-oxa-6-azabicyclo[3.1.1]heptan-6-yl]ethanone is sourced from PubChem (CID 129498292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).