Basic information
- Standard SMILES
C=CC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@]1(NC(C)=O)C(=O)NC(C)(C)C- InChIKey
PSNFRMXIQNDKLS-LIRRHRJNSA-N- Molecular formula
- C19H33N3O4
- Average molar mass
- 367.5 g/mol
- Monoisotopic mass
- 367.24710654
Names & identifiers
- Preferred name
- rel-(3R,4S)-tert-Butyl 3-acetamido-4-allyl-3-(tert-butylcarbamoyl)pyrrolidine-1-carboxylate
- IUPAC
- tert-butyl (3R,4S)-3-acetamido-3-(tert-butylcarbamoyl)-4-prop-2-enylpyrrolidine-1-carboxylate
Names & synonyms
1374334-12-9rel-(3R,4S)-tert-Butyl 3-acetamido-4-allyl-3-(tert-butylcarbamoyl)pyrrolidine-1-carboxylate(3R,4S)-tert-butyl 3-acetamido-4-allyl-3-(tert-butylcarbamoyl)pyrrolidine-1-carboxylatetert-butyl (3R,4S)-3-acetamido-4-allyl-3-(tert-butylcarbamoyl)pyrrolidine-1-carboxylateSCHEMBL6114151PSNFRMXIQNDKLS-LIRRHRJNSA-NMFCD34602163BS-45257F72279rel-(3R,4S)-tert-Butyl3-acetamido-4-allyl-3-(tert-butylcarbamoyl)pyrrolidine-1-carboxylate1-Pyrrolidinecarboxylic acid, 3-(acetylamino)-3-[[(1,1-dimethylethyl)amino]carbonyl]-4-(2-propen-1-yl)-, 1,1-dimethylethyl ester, (3R,4S)-rel-tert-butyl (3R,4S)-3-acetamido-3-(tert-butylcarbamoyl)-4-prop-2-enylpyrrolidine-1-carboxylate
Database identifiers
- PubChem CID
- 69669632
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 574
Related reactions
4 records
Linked notes
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