tert-butyl (2S)-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylate

• ChemBase ID: 59956
• Molecular Formular: C10H19N3O3
• Molecular Mass: 229.27616
• Monoisotopic Mass: 229.14264148
• SMILES: C(=O)(N1[C@H](C(=O)NN)CCC1)OC(C)(C)C
• Canonical SMILES: NNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C
• InChI: InChI=1S/C10H19N3O3/c1-10(2,3)16-9(15)13-6-4-5-7(13)8(14)12-11/h7H,4-6,11H2,1-3H3,(H,12,14)/t7-/m0/s1
• InChIKey: CEWGMUMFSVOZRT-ZETCQYMHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl (2S)-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylate
• IUPAC Traditional name: tert-butyl (2S)-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylate
• Synonyms: tert-Butyl (2S)-2-(hydrazinocarbonyl)pyrrolidine-1-carboxylate

Database IDs

• MDL Number: MFCD09752018
• PubChem SID: 162064719
• PubChem CID: 10014050

CALCULATED PROPERTIES

• Acid pKa: 12.625077
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.081699796
• LogD (pH = 7.4): 0.08261925
• Log P: 0.08263335
• Molar Refractivity: 59.3657 cm^3
• Polarizability: 23.024021 Å^3
• Polar Surface Area: 84.66 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false