(tert-Butylamino)(3,5,7-trimethyl-1-adamantyl)acetic acid
Basic information
- CAS
20138-01-6- Standard SMILES
CC12CC3(C)CC(C)(C1)CC(C(NC(C)(C)C)C(=O)O)(C2)C3- InChIKey
BPSWQUUOJZGDMK-UHFFFAOYSA-N- Molecular formula
- C19H33NO2
- Average molar mass
- 307.5 g/mol
- Monoisotopic mass
- 307.2511293
Names & identifiers
- Preferred name
- (tert-Butylamino)(3,5,7-trimethyl-1-adamantyl)acetic acid
- IUPAC
- 2-(tert-butylamino)-2-(3,5,7-trimethyl-1-adamantyl)acetic acid
Names & synonyms
20138-01-6(tert-Butylamino)(3,5,7-trimethyl-1-adamantyl)acetic acidNSC255322NSC 2553222-(tert-butylamino)-2-(3,5,7-trimethyl-1-adamantyl)acetic acidNSC-255322DS-007850
Database identifiers
- CAS
20138-01-6- PubChem CID
- 429459
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 445
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Compound notes
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