Basic information
- CAS
2156490-03-6- Standard SMILES
COC1CCCC1N(CCC(=O)O)Cc1ccccc1- InChIKey
CBBFWJHVHYUPSK-UHFFFAOYSA-N- Molecular formula
- C16H23NO3
- Average molar mass
- 277.36 g/mol
- Monoisotopic mass
- 277.1677936
Names & identifiers
- Preferred name
- N-Benzyl-N-(2-methoxycyclopentyl)-beta-alanine
- IUPAC
- 3-[benzyl-(2-methoxycyclopentyl)amino]propanoic acid
Names & synonyms
DTXSID401215339N-Benzyl-N-(2-methoxycyclopentyl)-beta-alanineI(2)-Alanine, N-(2-methoxycyclopentyl)-N-(phenylmethyl)-2156490-03-6
Database identifiers
- CAS
2156490-03-6- PubChem CID
- 165345809
- DTXSID
DTXSID401215339
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 302
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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