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Search term: ZJPVCZLCDXPKCH-NAKRPEOUSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | [(2R)-1-(L-Alanyl-L-isoleucyl)-2-pyrrolidinyl]boronic acid | C13H26BN3O4

[(2R)-1-(L-Alanyl-L-isoleucyl)-2-pyrrolidinyl]boronic acid

  • Molecular FormulaC13H26BN3O4
  • Average mass299.174 Da
  • Monoisotopic mass299.201630 Da
  • ChemSpider ID25056647

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[(2R)-1-(L-Alanyl-L-isoleucyl)-2-pyrrolidinyl]boronic acid [ACD/IUPAC Name]
[(2R)-1-(L-Alanyl-L-isoleucyl)-2-pyrrolidinyl]borsäure [German] [ACD/IUPAC Name]
[(2R)-1-(L-alanyl-L-isoleucyl)pyrrolidin-2-yl]boronic acid
Acide [(2R)-1-(L-alanyl-L-isoleucyl)-2-pyrrolidinyl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[(2R)-1-[(2S,3S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-3-methyl-1-oxopentyl]-2-pyrrolidinyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.522
Molar Refractivity: 78.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 0.45
ACD/LogD (pH 5.5): -2.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.09
Polar Surface Area: 116 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 48.8±5.0 dyne/cm
Molar Volume: 255.7±5.0 cm3

Click to predict properties on the Chemicalize site


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