8-(Carboxyacetyl)-3-methyl-3,8-diazabicyclo(3.2.1)octane
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Basic information
- CAS
57269-36-0- Standard SMILES
CN1CC2CCC(C1)N2C(=O)CC(=O)O- InChIKey
TWKAWBNRBUPTMA-UHFFFAOYSA-N- Molecular formula
- C10H16N2O3
- Average molar mass
- 212.25 g/mol
- Monoisotopic mass
- 212.11609238
Names & identifiers
- Preferred name
- 8-(Carboxyacetyl)-3-methyl-3,8-diazabicyclo(3.2.1)octane
- IUPAC
- 3-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-3-oxopropanoic acid
- English name
- 8-(Carboxyacetyl)-3-methyl-3,8-diazabicyclo[3.2.1]octane
- Molecular formula
- C10H16N2O3
- Molecular weight
- 212.25
Names & synonyms
57269-36-08-(Carboxyacetyl)-3-methyl-3,8-diazabicyclo(3.2.1)octane8-(Carboxyacetyl)-3-methyl-3,8-diazabicyclo[3.2.1]octaneBRN 05281753-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-3-oxopropanoic acid3,8-DIAZABICYCLO(3.2.1)OCTANE, 8-(CARBOXYACETYL)-3-METHYL-DTXSID10972764DB-3183663,8-Diazabicyclo[3.2.1]octane-8-propanoic acid, 3-methyl-β-oxo-
Database identifiers
- CAS
57269-36-0- PubChem CID
- 42247
- DTXSID
DTXSID10972764- Nikkaji
- J68.406F
Properties
Computed structural propertiesFilling in
- XLogP
- -2.4
- Topological polar surface area
- 60.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 278
Related reactions
0 records
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Compound notes
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