ChemSpider 2D Image | {(3R,4S)-3-[(N-Carbamoyl-N-methylglycyl)amino]-4-isopropyl-1-pyrrolidinyl}acetic acid | C13H24N4O4

{(3R,4S)-3-[(N-Carbamoyl-N-methylglycyl)amino]-4-isopropyl-1-pyrrolidinyl}acetic acid

  • Molecular FormulaC13H24N4O4
  • Average mass300.354 Da
  • Monoisotopic mass300.179749 Da
  • ChemSpider ID29701514

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

{(3R,4S)-3-[(N-Carbamoyl-N-methylglycyl)amino]-4-isopropyl-1-pyrrolidinyl}acetic acid [ACD/IUPAC Name]
{(3R,4S)-3-[(N-Carbamoyl-N-methylglycyl)amino]-4-isopropyl-1-pyrrolidinyl}essigsäure [German] [ACD/IUPAC Name]
1-Pyrrolidineacetic acid, 3-[[2-[(aminocarbonyl)methylamino]acetyl]amino]-4-(1-methylethyl)-, (3R,4S)- [ACD/Index Name]
Acide {(3R,4S)-3-[(N-carbamoyl-N-méthylglycyl)amino]-4-isopropyl-1-pyrrolidinyl}acétique [French] [ACD/IUPAC Name]
((3R*,4S*)-3-{[N-(aminocarbonyl)-N-methylglycyl]amino}-4-isopropyl-1-pyrrolidinyl)acetic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.557
Molar Refractivity: 77.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -1.02
ACD/LogD (pH 5.5): -3.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 116 Å2
Polarizability: 30.5±0.5 10-24cm3
Surface Tension: 57.4±5.0 dyne/cm
Molar Volume: 239.2±5.0 cm3

Click to predict properties on the Chemicalize site


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