ChemSpider 2D Image | S-{2-[(Methylcarbamoyl)amino]-2-oxoethyl}-L-cysteine | C7H13N3O4S

S-{2-[(Methylcarbamoyl)amino]-2-oxoethyl}-L-cysteine

  • Molecular FormulaC7H13N3O4S
  • Average mass235.261 Da
  • Monoisotopic mass235.062683 Da
  • ChemSpider ID62639145

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-Ammonio-3-({2-[(methylcarbamoyl)amino]-2-oxoethyl}sulfanyl)propanoat [German] [ACD/IUPAC Name]
(2R)-2-Ammonio-3-({2-[(methylcarbamoyl)amino]-2-oxoethyl}sulfanyl)propanoate [ACD/IUPAC Name]
(2R)-2-Ammonio-3-({2-[(méthylcarbamoyl)amino]-2-oxoéthyl}sulfanyl)propanoate [French] [ACD/IUPAC Name]
Ethanaminium, 1-carboxy-2-[[2-[[(methylamino)carbonyl]amino]-2-oxoethyl]thio]-, inner salt, (1R)- [ACD/Index Name]
L-Cysteine, S-[2-[[(methylamino)carbonyl]amino]-2-oxoethyl]- [ACD/Index Name]
S-{2-[(Methylcarbamoyl)amino]-2-oxoethyl}-L-cystein [German] [ACD/IUPAC Name]
S-{2-[(Methylcarbamoyl)amino]-2-oxoethyl}-L-cysteine [ACD/IUPAC Name]
S-{2-[(Méthylcarbamoyl)amino]-2-oxoéthyl}-L-cystéine [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.563
Molar Refractivity: 54.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.13
ACD/LogD (pH 5.5): -2.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 147 Å2
Polarizability: 21.7±0.5 10-24cm3
Surface Tension: 63.3±3.0 dyne/cm
Molar Volume: 168.6±3.0 cm3

Click to predict properties on the Chemicalize site


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