ethyl 2-({N'-[(tert-butoxy)carbonyl]hydrazinecarbonyl}amino)acetate

• ChemBase ID: 247860
• Molecular Formular: C10H19N3O5
• Molecular Mass: 261.27496
• Monoisotopic Mass: 261.13247072
• SMILES: C(=O)(NNC(=O)OC(C)(C)C)NCC(=O)OCC
• Canonical SMILES: CCOC(=O)CNC(=O)NNC(=O)OC(C)(C)C
• InChI: InChI=1S/C10H19N3O5/c1-5-17-7(14)6-11-8(15)12-13-9(16)18-10(2,3)4/h5-6H2,1-4H3,(H,13,16)(H2,11,12,15)
• InChIKey: GGWOXYFHEXGDTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-({N'-[(tert-butoxy)carbonyl]hydrazinecarbonyl}amino)acetate
• IUPAC Traditional name: ethyl 2-{[N'-(tert-butoxycarbonyl)hydrazinecarbonyl]amino}acetate
• Synonyms: ethyl 2-({N'-[(tert-butoxy)carbonyl]hydrazinecarbonyl}amino)acetate

Database IDs

• PubChem SID: 164303770
• PubChem CID: 14019992

CALCULATED PROPERTIES

• Acid pKa: 9.43782
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -0.07571546
• LogD (pH = 7.4): -0.07918437
• Log P: -0.07567106
• Molar Refractivity: 61.9367 cm^3
• Polarizability: 24.35447 Å^3
• Polar Surface Area: 105.76 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.009

Product Information

• Purity: 95%