3-Azatricyclo(3.2.1.0(sup 2,4))octane-3-carboxylic acid, ethyl ester

HCID 13670

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Basic information

CAS: 943-34-0
Standard SMILES: CCOC(=O)N1C2C3CCC(C3)C21
InChIKey: DZOOLBXFQXIOFA-UHFFFAOYSA-N
Molecular formula: C10H15NO2
Average molar mass: 181.23 g/mol
Monoisotopic mass: 181.11027872

Names & identifiers

Preferred name: 3-Azatricyclo(3.2.1.0(sup 2,4))octane-3-carboxylic acid, ethyl ester
IUPAC: ethyl 3-azatricyclo[3.2.1.02,4]octane-3-carboxylate

Names & synonyms

943-34-0NSC 82085Ethyl 3-azatricyclo(3.2.1.0(sup2,4))octane-3-carboxylateEthyl 3-azatricyclo(3.2.1.0(sup 2,4))octane-3-carboxylate3-AZATRICYCLO(3.2.1.0(sup 2,4))OCTANE-3-CARBOXYLIC ACID, ETHYL ESTER3-Azatricyclo(3.2.1.02,4)octane-3-carboxylic acid, ethyl esterEthyl 3-azatricyclo[3.2.1.0(sup2,4)]octane-3-carboxylateRefChem:2767983-Azatricyclo(3.2.1.02,4)octane-3-carboxylic acid, ethyl ester (8CI)NSC82085NCIOpen2_000840DTXSID90915694

Show more names

DZOOLBXFQXIOFA-UHFFFAOYSA-NNSC-820853-Azatricyclo[3.2.1.02, ethyl ester3-Azatricyclo[3.2.1.0(sup2, ethyl esterEthyl 3-azatricyclo[3.2.1.0~2,4~]octane-3-carboxylate

Database identifiers

CAS: 943-34-0
PubChem CID: 13670
DTXSID: DTXSID90915694
Nikkaji: J54.655K

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 29.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 237

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