tert-butyl N-methyl-N-[(2S)-pyrrolidin-2-yl]carbamate

• ChemBase ID: 804960
• Molecular Formular: C10H20N2O2
• Molecular Mass: 200.278
• Monoisotopic Mass: 200.15247789
• SMILES: N1[C@H](CCC1)N(C(=O)OC(C)(C)C)C
• Canonical SMILES: O=C(N([C@H]1CCCN1)C)OC(C)(C)C
• InChI: InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12(4)8-6-5-7-11-8/h8,11H,5-7H2,1-4H3/t8-/m0/s1
• InChIKey: JFFKYXDQBCCTPG-QMMMGPOBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-methyl-N-[(2S)-pyrrolidin-2-yl]carbamate
• IUPAC Traditional name: tert-butyl N-methyl-N-[(2S)-pyrrolidin-2-yl]carbamate
• Synonyms: (S)-2-N-METHYL-N-BOC-AMINOPYRROLIDINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9494199
• LogD (pH = 7.4): -0.8839779
• Log P: 1.2288853
• Molar Refractivity: 54.8019 cm^3
• Polarizability: 21.854008 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%