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

C9H16N2O2 — CID 129498097

IUPAC2-amino-1-[(1S,5S)-6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl]ethanone
SMILESCOC1[C@H]2C[C@H]1CN(C(=O)CN)C2
InChIInChI=1S/C9H16N2O2/c1-13-9-6-2-7(9)5-11(4-6)8(12)3-10/h6-7,9H,2-5,10H2,1H3/t6-,7-/m0/s1
InChIKeyOTNPWQANCWCZLC-BQBZGAKWSA-N
MW184.24 g/mol
LogP-0.56
Rot. Bonds2

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

2-amino-1-[(1S,5S)-6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl]ethanone (PubChem CID 129498097) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-amino-1-[(1S,5S)-6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[(1S,5S)-6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl]ethanone
PubChem CID129498097
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name2-amino-1-[(1S,5S)-6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl]ethanone
SMILESCOC1[C@H]2C[C@H]1CN(C(=O)CN)C2
InChIInChI=1S/C9H16N2O2/c1-13-9-6-2-7(9)5-11(4-6)8(12)3-10/h6-7,9H,2-5,10H2,1H3/t6-,7-/m0/s1
InChIKeyOTNPWQANCWCZLC-BQBZGAKWSA-N
XLogP-0.56
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-1-(6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)propan-1-one
CID 121202208
4-[(1S,5S)-6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl]-4-oxobutanoic acid
CID 129495856
3-[(1S,5S)-6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl]-3-oxopropanenitrile
CID 129494893
1-[(3aR,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-aminoethanone
CID 129495718
2-amino-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 24697792
2-amino-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 66564445
(E)-4-(6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)-4-oxobut-2-enoic acid
CID 121202210
2-amino-1-(5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl)ethanone
CID 130678878
2-amino-1-(3-methoxypiperidin-1-yl)ethanone
CID 66564450
(1S,5S)-6-methoxy-3-azabicyclo[3.1.1]heptane-3-carboximidamide
CID 129495415
1-(3-methoxyazetidin-1-yl)-3,3-dimethylbutan-1-one
CID 118084446
(6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)-piperidin-2-ylmethanone
CID 121202218

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(1S,5S)-6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl]ethanone?
The IUPAC name of 2-amino-1-[(1S,5S)-6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl]ethanone (CID 129498097) is 2-amino-1-[(1S,5S)-6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl]ethanone.
What is the SMILES notation for 2-amino-1-[(1S,5S)-6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl]ethanone?
The canonical SMILES for 2-amino-1-[(1S,5S)-6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl]ethanone is COC1[C@H]2C[C@H]1CN(C(=O)CN)C2.
What is the InChIKey of 2-amino-1-[(1S,5S)-6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl]ethanone?
The InChIKey is OTNPWQANCWCZLC-BQBZGAKWSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-13-9-6-2-7(9)5-11(4-6)8(12)3-10/h6-7,9H,2-5,10H2,1H3/t6-,7-/m0/s1.
What are the key properties of 2-amino-1-[(1S,5S)-6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl]ethanone?
2-amino-1-[(1S,5S)-6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl]ethanone has a molecular weight of 184.24 g/mol, XLogP of -0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(1S,5S)-6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl]ethanone is sourced from PubChem (CID 129498097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).