Basic information
- Standard SMILES
Cc1ccc(N[C@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1- InChIKey
VQWWYGWHKIXHDQ-STQMWFEESA-N- Molecular formula
- C17H25N3O4
- Average molar mass
- 335.4 g/mol
Names & identifiers
- Preferred name
- trans-[3-(4-Methyl-2-nitro-phenylamino)-cyclopentyl]-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[(1S,3S)-3-(4-methyl-2-nitroanilino)cyclopentyl]carbamate
Names & synonyms
SCHEMBL1018158VQWWYGWHKIXHDQ-STQMWFEESA-Ntrans-[3-(4-methyl-2-nitro-phenylamino)-cyclopentyl]-carbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 66878024
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 458
Related reactions
2 records
Compound notes
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