3-[(2-Amino-acetyl)-isopropyl-amino]-pyrrolidine-1-carboxylic acid tert-butyl ester
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Basic information
- CAS
1353962-00-1- Standard SMILES
CC(C)N(C(=O)CN)C1CCN(C(=O)OC(C)(C)C)C1- InChIKey
KWLYSUYKVDQRRQ-UHFFFAOYSA-N- Molecular formula
- C14H27N3O3
- Average molar mass
- 285.38 g/mol
Names & identifiers
- Preferred name
- 3-[(2-Amino-acetyl)-isopropyl-amino]-pyrrolidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 3-[(2-aminoacetyl)-propan-2-ylamino]pyrrolidine-1-carboxylate
- English name
- 3-[(2-AMino-acetyl)-isopropyl-aMino]-pyrrolidine-1-carboxylic acid tert-butyl ester
- Molecular formula
- C14H27N3O3
- Molecular weight
- 285.38
Names & synonyms
1353962-00-13-[(2-Amino-acetyl)-isopropyl-amino]-pyrrolidine-1-carboxylic acid tert-butyl estertert-Butyl 3-(2-amino-N-isopropylacetamido)pyrrolidine-1-carboxylatetert-Butyl3-(2-amino-N-isopropylacetamido)pyrrolidine-1-carboxylateSB49177DB-252134tert-butyl 3-[(2-aminoacetyl)-isopropyl-amino]pyrrolidine-1-carboxylatetert-butyl 3-[(2-aminoacetyl)-propan-2-ylamino]pyrrolidine-1-carboxylate1-Pyrrolidinecarboxylic acid, 3-[(2-aminoacetyl)(1-methylethyl)amino]-, 1,1-dimethylethyl ester
Database identifiers
- CAS
1353962-00-1
Properties
Computed structural propertiesFilling in
- XLogP
- 0.7
- Topological polar surface area
- 75.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 363
Physicochemical properties
- Boiling point
- 404.3 · 404.3±45.0 °C(Predicted)
- Density
- 1.1 · 1.10±0.1 g/cm3(Predicted)
- pka
- 8.05 · 8.05±0.29(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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