tert-Butyl alanylleucinate
Basic information
- CAS
61878-31-7- Standard SMILES
CC(C)CC(NC(=O)C(C)N)C(=O)OC(C)(C)C- InChIKey
MXDWBAYBLVBWAW-UHFFFAOYSA-N- Molecular formula
- C13H26N2O3
- Average molar mass
- 258.36 g/mol
- Monoisotopic mass
- 258.1943427
Names & identifiers
- Preferred name
- tert-Butyl alanylleucinate
- IUPAC
- tert-butyl 2-(2-aminopropanoylamino)-4-methylpentanoate
Names & synonyms
61878-31-7tert-Butyl alanylleucinateNSC351126DTXSID40319820NSC-351126
Database identifiers
- CAS
61878-31-7- PubChem CID
- 336495
- DTXSID
DTXSID40319820
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 295
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Compound notes
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