2-[(6-Azaspiro[2.5]octane-1-carbonyl)amino]pent-4-ynoic acid
Basic information
- CAS
1544220-00-9- Standard SMILES
C#CCC(NC(=O)C1CC12CCNCC2)C(=O)O- InChIKey
ZYMJOFYUPGJEJT-UHFFFAOYSA-N- Molecular formula
- C13H18N2O3
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.13174244
Names & identifiers
- Preferred name
- 2-[(6-Azaspiro[2.5]octane-1-carbonyl)amino]pent-4-ynoic acid
- IUPAC
- 2-(6-azaspiro[2.5]octane-2-carbonylamino)pent-4-ynoic acid
Names & synonyms
DTXSID801182011AKOS0207505542-[(6-Azaspiro[2.5]octane-1-carbonyl)amino]pent-4-ynoic acid4-Pentynoic acid, 2-[(6-azaspiro[2.5]oct-1-ylcarbonyl)amino]-1544220-00-9
Database identifiers
- CAS
1544220-00-9- PubChem CID
- 81769736
- DTXSID
DTXSID801182011
Properties
Computed structural properties
- XLogP
- -2.3
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 404
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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