ChemSpider 2D Image | (3S)-3-(2-Amino-2-oxoethyl)-5-methylhexanoic acid | C9H17NO3

(3S)-3-(2-Amino-2-oxoethyl)-5-methylhexanoic acid

  • Molecular FormulaC9H17NO3
  • Average mass187.236 Da
  • Monoisotopic mass187.120850 Da
  • ChemSpider ID24604022

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-(2-Amino-2-oxoethyl)-5-methylhexanoic acid [ACD/IUPAC Name]
(3S)-3-(2-Amino-2-oxoethyl)-5-methylhexansäure [German] [ACD/IUPAC Name]
181289-34-9 [RN]
Acide (3S)-3-(2-amino-2-oxoéthyl)-5-méthylhexanoïque [French] [ACD/IUPAC Name]
Hexanoic acid, 3-(2-amino-2-oxoethyl)-5-methyl-, (3S)- [ACD/Index Name]
(3S)-3-(2-amino-2-oxo-ethyl)-5-methyl-hexanoic acid
(3S)-3-(carbamoylmethyl)-5-methylhexanoic acid
(S)-3-(2-Amino-2-oxoethyl)-5-methylhexanoic acid
(S)-3-(Carbamoylmethyl)-5-methylhexanoic acid
181289-15-6 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 401.9±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 71.7±6.0 kJ/mol
Flash Point: 196.9±24.0 °C
Index of Refraction: 1.475
Molar Refractivity: 48.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.48
ACD/LogD (pH 5.5): -0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.60
ACD/LogD (pH 7.4): -1.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 80 Å2
Polarizability: 19.3±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 173.3±3.0 cm3

Click to predict properties on the Chemicalize site


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