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

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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).