ChemSpider 2D Image | (2S)-2-{(3S)-3-[4-(Benzyloxy)phenyl]-2-oxo-1-pyrrolidinyl}-4-methylpentanoic acid | C23H27NO4

(2S)-2-{(3S)-3-[4-(Benzyloxy)phenyl]-2-oxo-1-pyrrolidinyl}-4-methylpentanoic acid

  • Molecular FormulaC23H27NO4
  • Average mass381.465 Da
  • Monoisotopic mass381.194000 Da
  • ChemSpider ID26528573

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-2-{(3S)-3-[4-(Benzyloxy)phenyl]-2-oxo-1-pyrrolidinyl}-4-methylpentanoic acid [ACD/IUPAC Name]
(2S)-2-{(3S)-3-[4-(Benzyloxy)phenyl]-2-oxo-1-pyrrolidinyl}-4-methylpentansäure [German] [ACD/IUPAC Name]
1245645-91-3 [RN]
1-Pyrrolidineacetic acid, α-(2-methylpropyl)-2-oxo-3-[4-(phenylmethoxy)phenyl]-, (αS,3S)- [ACD/Index Name]
Acide (2S)-2-{(3S)-3-[4-(benzyloxy)phényl]-2-oxo-1-pyrrolidinyl}-4-méthylpentanoïque [French] [ACD/IUPAC Name]
(2S)-2-[(3S)-3-[4-(BENZYLOXY)PHENYL]-2-OXOPYRROLIDIN-1-YL]-4-METHYLPENTANOIC ACID
(2S)-2-{(3S)-3-[4-(Benzyloxy)phenyl]-2-oxopyrrolidin-1-yl}-4-methylpentanoic acid
(S)-2-((S)-3-(4-(benzyloxy)phenyl)-2-oxopyrrolidin-1-yl)-4-methylpentanoic acid
634196-86-4 [RN]
MFCD17677285 [MDL number]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 593.8±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 93.1±3.0 kJ/mol
    Flash Point: 312.9±30.1 °C
    Index of Refraction: 1.580
    Molar Refractivity: 107.0±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 4.28
    ACD/LogD (pH 5.5): 2.06
    ACD/BCF (pH 5.5): 7.15
    ACD/KOC (pH 5.5): 37.98
    ACD/LogD (pH 7.4): 0.56
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.18
    Polar Surface Area: 67 Å2
    Polarizability: 42.4±0.5 10-24cm3
    Surface Tension: 49.8±3.0 dyne/cm
    Molar Volume: 321.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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