tert-butyl N-[(1S,2S)-1-(hydrazinecarbonyl)-2-methylbutyl]carbamate

• ChemBase ID: 59660
• Molecular Formular: C11H23N3O3
• Molecular Mass: 245.31862
• Monoisotopic Mass: 245.17394161
• SMILES: C(=O)(N[C@H](C(=O)NN)[C@H](CC)C)OC(C)(C)C
• Canonical SMILES: CC[C@@H]([C@@H](C(=O)NN)NC(=O)OC(C)(C)C)C
• InChI: InChI=1S/C11H23N3O3/c1-6-7(2)8(9(15)14-12)13-10(16)17-11(3,4)5/h7-8H,6,12H2,1-5H3,(H,13,16)(H,14,15)/t7-,8-/m0/s1
• InChIKey: LIRUNLCZYYYSDX-YUMQZZPRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-[(1S,2S)-1-(hydrazinecarbonyl)-2-methylbutyl]carbamate
• IUPAC Traditional name: tert-butyl N-[(1S,2S)-1-(hydrazinecarbonyl)-2-methylbutyl]carbamate
• Synonyms: tert-Butyl [(1S)-1-(hydrazinocarbonyl)-2-methylbutyl]carbamate

Database IDs

• MDL Number: MFCD11108872
• PubChem SID: 162064423
• PubChem CID: 33748313

CALCULATED PROPERTIES

• Acid pKa: 12.781781
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 1.1410983
• LogD (pH = 7.4): 1.1420183
• Log P: 1.1420317
• Molar Refractivity: 65.2732 cm^3
• Polarizability: 25.567127 Å^3
• Polar Surface Area: 93.45 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false