ChemSpider 2D Image | (4R)-4-[3-(Methylamino)-3-oxopropyl]-L-glutamic acid | C9H16N2O5

(4R)-4-[3-(Methylamino)-3-oxopropyl]-L-glutamic acid

  • Molecular FormulaC9H16N2O5
  • Average mass232.234 Da
  • Monoisotopic mass232.105927 Da
  • ChemSpider ID23341825

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4R)-4-[3-(Methylamino)-3-oxopropyl]-L-glutamic acid [ACD/IUPAC Name]
(4R)-4-[3-(Methylamino)-3-oxopropyl]-L-glutaminsäure [German] [ACD/IUPAC Name]
Acide (4R)-4-[3-(méthylamino)-3-oxopropyl]-L-glutamique [French] [ACD/IUPAC Name]
L-Glutamic acid, 4-[3-(methylamino)-3-oxopropyl]-, (4R)- [ACD/Index Name]
(2S,4R)-2-amino-4-(3-(methylamino)-3-oxopropyl)pentanedioic acid
(2S,4R)-4-(3-Methylamino-3-oxopropyl)glutamic acid
1040448-97-2 [RN]
2QD
CHEMBL500042
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL500042/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 528.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 87.9±6.0 kJ/mol
Flash Point: 273.6±30.1 °C
Index of Refraction: 1.523
Molar Refractivity: 54.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -2.50
ACD/LogD (pH 5.5): -5.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 130 Å2
Polarizability: 21.4±0.5 10-24cm3
Surface Tension: 59.4±3.0 dyne/cm
Molar Volume: 176.7±3.0 cm3

Click to predict properties on the Chemicalize site


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