ChemSpider 2D Image | (3R,4S)-3-(Carboxymethyl)-4-[(1E)-N-{2-[(carboxymethyl)amino]-2-oxoethoxy}ethanimidoyl]-D-proline | C13H19N3O8

(3R,4S)-3-(Carboxymethyl)-4-[(1E)-N-{2-[(carboxymethyl)amino]-2-oxoethoxy}ethanimidoyl]-D-proline

  • Molecular FormulaC13H19N3O8
  • Average mass345.305 Da
  • Monoisotopic mass345.117218 Da
  • ChemSpider ID68026826

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3R,4S)-3-(Carboxymethyl)-4-[(1E)-N-{2-[(carboxymethyl)amino]-2-oxoethoxy}ethanimidoyl]-D-prolin [German] [ACD/IUPAC Name]
(3R,4S)-3-(Carboxymethyl)-4-[(1E)-N-{2-[(carboxymethyl)amino]-2-oxoethoxy}ethanimidoyl]-D-proline [ACD/IUPAC Name]
(3R,4S)-3-(Carboxyméthyl)-4-[(1E)-N-{2-[(carboxyméthyl)amino]-2-oxoéthoxy}ethanimidoyl]-D-proline [French] [ACD/IUPAC Name]
D-Proline, 3-(carboxymethyl)-4-[(1E)-1-[[2-[(carboxymethyl)amino]-2-oxoethoxy]imino]ethyl]-, (3R,4S)- [ACD/Index Name]
Kainylaminooxyacetylglycine

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.631
Molar Refractivity: 76.2±0.5 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -1.00
ACD/LogD (pH 5.5): -5.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 175 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 66.8±7.0 dyne/cm
Molar Volume: 214.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement