Amino(phenyl)acetic acid--(7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonic acid (1/1)
Basic information
- CAS
36775-31-2- Standard SMILES
CC1(C)C2CCC1(CS(=O)(=O)O)C(=O)C2.NC(C(=O)O)c1ccccc1- InChIKey
BSVPYMWMLYBQFS-UHFFFAOYSA-N- Molecular formula
- C18H25NO6S
- Average molar mass
- 383.5 g/mol
- Monoisotopic mass
- 383.14025869
Names & identifiers
- Preferred name
- Amino(phenyl)acetic acid--(7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonic acid (1/1)
- IUPAC
- 2-amino-2-phenylacetic acid;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonic acid
Names & synonyms
NSC139635DTXSID10957995NSC-139635Amino(phenyl)acetic acid--(7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonic acid (1/1)
Database identifiers
- CAS
36775-31-2- PubChem CID
- 284048
- DTXSID
DTXSID10957995
Properties
Computed structural properties
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 545
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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