cis-Tert-butyl 3-(4-methoxy-3-nitrophenyl)-aziridine-2-carboxylate

HCID 86767775

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Basic information

CAS: 1637781-51-1
Standard SMILES: COc1ccc([C@H]2N[C@H]2C(=O)OC(C)(C)C)cc1[N+](=O)[O-]
InChIKey: PPPFTYSVHDNEKF-VXGBXAGGSA-N
Molecular formula: C14H18N2O5
Average molar mass: 294.3 g/mol
Monoisotopic mass: 294.12157168

Names & identifiers

Preferred name: cis-Tert-butyl 3-(4-methoxy-3-nitrophenyl)-aziridine-2-carboxylate
IUPAC: tert-butyl (2R,3R)-3-(4-methoxy-3-nitrophenyl)aziridine-2-carboxylate

Names & synonyms

1637781-51-1MFCD26936318TERT-BUTYL (2R,3R)-3-(4-METHOXY-3-NITROPHENYL)AZIRIDINE-2-CARBOXYLATEcis-tert-butyl 3-(4-methoxy-3-nitrophenyl)-aziridine-2-carboxylatetert-butyl (2R,3S)-3-(4-methoxy-3-nitrophenyl)aziridine-2-carboxylate1980007-31-53-(4-Methoxy-3-nitrophenyl)-aziridine-2-carboxylic acid tert-butyl esterDTXSID801117464cis-t-Butyl 3-(4-methoxy-3-nitrophenyl)-aziridine-2-carboxylatetert-butyl (2R,3R)-3-(4-methoxy-3-nitro-phenyl)aziridine-2-carboxylate2-Aziridinecarboxylic acid, 3-(4-methoxy-3-nitrophenyl)-, 1,1-dimethylethyl ester, (2R,3R)-rel-

Database identifiers

CAS: 1637781-51-1
PubChem CID: 86767775
DTXSID: DTXSID801117464

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 103 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 5
Heavy atoms: 21
Formal charge: 0
Complexity: 415

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