5-Oxo-5-(9-pyridin-4-yl-3,9-diaza-spiro[5.5]undec-3-yl)-pentanoic acid
Basic information
- CAS
336190-40-0- Standard SMILES
O=C(O)CCCC(=O)N1CCC2(CC1)CCN(c1ccncc1)CC2- InChIKey
YXOHUVNDEFWHIU-UHFFFAOYSA-N- Molecular formula
- C19H27N3O3
- Average molar mass
- 345.4 g/mol
- Monoisotopic mass
- 345.20524173
Names & identifiers
- Preferred name
- 5-Oxo-5-(9-pyridin-4-yl-3,9-diaza-spiro[5.5]undec-3-yl)-pentanoic acid
- IUPAC
- 5-oxo-5-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)pentanoic acid
Names & synonyms
CHEMBL24373SCHEMBL7018518DTXSID901166038BDBM501003535-Oxo-5-(9-pyridin-4-yl-3,9-diaza-spiro[5.5]undec-3-yl)-pentanoic acid5-oxo-5-[9-(pyridin-4-yl)-3,9-diazaspiro[5.5]undecan-3-yl]pentanoic acid336190-40-0I -Oxo-9-(4-pyridinyl)-3,9-diazaspiro[5.5]undecane-3-pentanoic acid
Database identifiers
- CAS
336190-40-0- PubChem CID
- 44459507
- DTXSID
DTXSID901166038- ChEMBL
CHEMBL24373- Nikkaji
- J1.540.896K
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 73.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 459
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Compound notes
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