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Creative Commons Attribution-ShareAlike 3.0 United States Inherent Properties, Identifiers and References
ChemSpider ID: 21105610
Empirical Formula: C14H19NO4
Molecular Weight: 265.305
Nominal Mass: 265 Da
Average Mass: 265.305 Da
Monoisotopic Mass: 265.131408 Da
Systematic Name: (2R)-2-[[(2S)-2-hydroxy-2-phenyl-acetyl]amino]-4-methyl-pentanoic​ acid
SMILES: O[C@H](C(=O)N[C@H](CC(C)C)C(O)=O)c1ccccc1
InChI: InChI=1/C14H19NO4/c1-9(2)8-11(14(18)19)15-13(17)12(16)10-6-4-3-5-​7-10/h3-7,9,11-12,16H,8H2,1-2H3,(H,15,17)(H,18,19)/t11-,12+/m1/s1​
InChIKey: AGIZAEJHFQQSHN-NEPJUHHUBP
Creative Commons Attribution-ShareAlike 3.0 United States (Details...) Original Reference(s)
Data SourceExternal ID(s)
IUCr10.1107/S0108270198010063
Creative Commons Attribution-ShareAlike 3.0 United States Disclaimer (Details...) Supplemental Information
(Details...) Names and Synonyms Creative Commons Attribution-ShareAlike 3.0 United States

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D-leucine, N-[(2S)-2-hydroxy-2-phenylacetyl]-
N-[(2S)-2-hydroxy-2-phenylacetyl]-D-leucine
(Details...) Predicted Properties
LogP: ACD/LogP: 2.09
# of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): ACD/LogD (pH 7.4):
ACD/BCF (pH 5.5): ACD/BCF (pH 7.4):
ACD/KOC (pH 5.5): ACD/KOC (pH 7.4):
#H bond acceptors: 5 #H bond donors: 3
#Freely Rotating Bonds: 7 Polar Surface Area: 86.63 Å2
Index of Refraction: 1.548 Molar Refractivity: 70.24 cm3
Molar Volume: 220.8 cm3 Polarizability: 27.84 10-24cm3
Surface Tension: 50 dyne/cm Density: 1.201 g/cm3
Flash Point: 266.7 °C Enthalpy of Vaporization: 83.13 kJ/mol
Boiling Point: 517.3 °C at 760 mmHg Vapour Pressure: 1.58E-11 mmHg at 25°C