methyl 2-(2-azabicyclo[3.2.0]heptan-6-yl)acetate

C9H15NO2 — CID 155820890

IUPACmethyl 2-(2-azabicyclo[3.2.0]heptan-6-yl)acetate
SMILESCOC(=O)CC1CC2NCCC12
InChIInChI=1S/C9H15NO2/c1-12-9(11)5-6-4-8-7(6)2-3-10-8/h6-8,10H,2-5H2,1H3
InChIKeyHGXZSOYVTQHRML-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.55
Rot. Bonds2

About methyl 2-(2-azabicyclo[3.2.0]heptan-6-yl)acetate

methyl 2-(2-azabicyclo[3.2.0]heptan-6-yl)acetate (PubChem CID 155820890) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is methyl 2-(2-azabicyclo[3.2.0]heptan-6-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-azabicyclo[3.2.0]heptan-6-yl)acetate
PubChem CID155820890
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Namemethyl 2-(2-azabicyclo[3.2.0]heptan-6-yl)acetate
SMILESCOC(=O)CC1CC2NCCC12
InChIInChI=1S/C9H15NO2/c1-12-9(11)5-6-4-8-7(6)2-3-10-8/h6-8,10H,2-5H2,1H3
InChIKeyHGXZSOYVTQHRML-UHFFFAOYSA-N
XLogP0.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-(2-azabicyclo[3.2.0]heptan-6-yl)acetate 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

methyl 2-(2-azabicyclo[2.2.1]heptan-6-yl)acetate;hydrochloride
CID 160985459
methyl 2-[2-(2-methoxy-2-oxoethyl)cycloheptyl]acetate
CID 12704967
methyl 2-(2-methylazetidin-3-yl)acetate
CID 171808682
methyl 2-[(1S,2S,6R)-2-bicyclo[4.1.0]heptanyl]acetate
CID 10986655
cis-methyl (1R,2S)-2-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylate
CID 91746697
trans-methyl (1S,2S)-2-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylate
CID 91746696
methyl 2-(3-ethylpiperidin-4-yl)acetate
CID 57098006
methyl 2-(1,4-diazepan-5-yl)acetate
CID 23090340
ethane;methyl 2-piperidin-2-ylacetate
CID 168986004
methyl 2-(azocan-2-yl)acetate
CID 86040521
methyl 2-[(1S,2R)-2-(2-hydroxyethyl)cyclopropyl]acetate
CID 71443239
methyl 2-[2-(2-phenylacetyl)pyrrolidin-3-yl]acetate
CID 69288594

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-azabicyclo[3.2.0]heptan-6-yl)acetate?
The IUPAC name of methyl 2-(2-azabicyclo[3.2.0]heptan-6-yl)acetate (CID 155820890) is methyl 2-(2-azabicyclo[3.2.0]heptan-6-yl)acetate.
What is the SMILES notation for methyl 2-(2-azabicyclo[3.2.0]heptan-6-yl)acetate?
The canonical SMILES for methyl 2-(2-azabicyclo[3.2.0]heptan-6-yl)acetate is COC(=O)CC1CC2NCCC12.
What is the InChIKey of methyl 2-(2-azabicyclo[3.2.0]heptan-6-yl)acetate?
The InChIKey is HGXZSOYVTQHRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-12-9(11)5-6-4-8-7(6)2-3-10-8/h6-8,10H,2-5H2,1H3.
What are the key properties of methyl 2-(2-azabicyclo[3.2.0]heptan-6-yl)acetate?
methyl 2-(2-azabicyclo[3.2.0]heptan-6-yl)acetate has a molecular weight of 169.22 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-azabicyclo[3.2.0]heptan-6-yl)acetate is sourced from PubChem (CID 155820890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).