ChemSpider 2D Image | (3S,4S)-Benzyl 3-amino-4-((tert-butoxycarbonyl)amino)pyrrolidine-1-carboxylate | C17H25N3O4

(3S,4S)-Benzyl 3-amino-4-((tert-butoxycarbonyl)amino)pyrrolidine-1-carboxylate

  • Molecular FormulaC17H25N3O4
  • Average mass335.398 Da
  • Monoisotopic mass335.184509 Da
  • ChemSpider ID28474733

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3S,4S)-3-Amino-4-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-1-pyrrolidinecarboxylate de benzyle [French] [ACD/IUPAC Name]
(3S,4S)-Benzyl 3-amino-4-((tert-butoxycarbonyl)amino)pyrrolidine-1-carboxylate
1033713-58-4 [RN]
1-Pyrrolidinecarboxylic acid, 3-amino-4-[[(1,1-dimethylethoxy)carbonyl]amino]-, phenylmethyl ester, (3S,4S)- [ACD/Index Name]
Benzyl (3S,4S)-3-amino-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
Benzyl-(3S,4S)-3-amino-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
(3S,4S)-Benzyl3-amino-4-(tert-butoxycarbonylamino)pyrrolidine-1-carboxylate
[1033713-58-4] [RN]
benzyl (3S,4S)-3-amino-4-((tert-butoxycarbonyl)amino)pyrrolidine-1-carboxylate
BENZYL (3S,4S)-3-AMINO-4-(TERT-BUTOXYCARBONYLAMINO)PYRROLIDINE-1-CARBOXYLATE
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 485.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.2±3.0 kJ/mol
Flash Point: 247.7±28.7 °C
Index of Refraction: 1.566
Molar Refractivity: 90.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.93
ACD/LogD (pH 5.5): -0.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.05
ACD/BCF (pH 7.4): 2.41
ACD/KOC (pH 7.4): 39.09
Polar Surface Area: 94 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 51.5±5.0 dyne/cm
Molar Volume: 277.2±5.0 cm3

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