tert-butyl N-[(1S)-1-(hydrazinecarbonyl)-3-methylbutyl]carbamate

• ChemBase ID: 59954
• Molecular Formular: C11H23N3O3
• Molecular Mass: 245.31862
• Monoisotopic Mass: 245.17394161
• SMILES: C(=O)(N[C@H](C(=O)NN)CC(C)C)OC(C)(C)C
• Canonical SMILES: NNC(=O)[C@@H](NC(=O)OC(C)(C)C)CC(C)C
• InChI: InChI=1S/C11H23N3O3/c1-7(2)6-8(9(15)14-12)13-10(16)17-11(3,4)5/h7-8H,6,12H2,1-5H3,(H,13,16)(H,14,15)/t8-/m0/s1
• InChIKey: UVOMXPFPSGGLIU-QMMMGPOBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-[(1S)-1-(hydrazinecarbonyl)-3-methylbutyl]carbamate
• IUPAC Traditional name: tert-butyl N-[(1S)-1-(hydrazinecarbonyl)-3-methylbutyl]carbamate
• Synonyms: tert-Butyl [(1S)-1-(hydrazinocarbonyl)-3-methylbutyl]carbamate

Database IDs

• MDL Number: MFCD11108873
• PubChem SID: 162064717
• PubChem CID: 33748324

CALCULATED PROPERTIES

• Acid pKa: 12.786764
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 1.0631436
• LogD (pH = 7.4): 1.0640645
• Log P: 1.064078
• Molar Refractivity: 65.3502 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