ChemSpider 2D Image | (2S)-1-[(2-Methoxy-5-nitrophenyl)amino]-1-oxo-2-propanyl [(5s,8s)-8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl]acetate | C21H26N4O8

(2S)-1-[(2-Methoxy-5-nitrophenyl)amino]-1-oxo-2-propanyl [(5s,8s)-8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl]acetate

  • Molecular FormulaC21H26N4O8
  • Average mass462.453 Da
  • Monoisotopic mass462.175049 Da
  • ChemSpider ID62437184

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S)-1-[(2-Methoxy-5-nitrophenyl)amino]-1-oxo-2-propanyl [(5s,8s)-8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl]acetate [ACD/IUPAC Name]
(2S)-1-[(2-Methoxy-5-nitrophenyl)amino]-1-oxo-2-propanyl-[(5s,8s)-8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl]acetat [German] [ACD/IUPAC Name]
[(5s,8s)-8-Méthyl-2,4-dioxo-1,3-diazaspiro[4.5]déc-3-yl]acétate de (2S)-1-[(2-méthoxy-5-nitrophényl)amino]-1-oxo-2-propanyle [French] [ACD/IUPAC Name]
1,3-Diazaspiro[4.5]decane-3-acetic acid, 8-methyl-2,4-dioxo-, (1S)-2-[(2-methoxy-5-nitrophenyl)amino]-1-methyl-2-oxoethyl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.600
Molar Refractivity: 113.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.49
ACD/LogD (pH 5.5): 3.05
ACD/BCF (pH 5.5): 122.29
ACD/KOC (pH 5.5): 1085.85
ACD/LogD (pH 7.4): 3.05
ACD/BCF (pH 7.4): 121.96
ACD/KOC (pH 7.4): 1082.84
Polar Surface Area: 160 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 64.2±5.0 dyne/cm
Molar Volume: 331.2±5.0 cm3

Click to predict properties on the Chemicalize site


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