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Search term: C[C@H](N)C1=NC(=C)C(=O)N1CC(O)=O (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | {2-[(1S)-1-Aminoethyl]-4-methylene-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid | C8H11N3O3

{2-[(1S)-1-Aminoethyl]-4-methylene-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

  • Molecular FormulaC8H11N3O3
  • Average mass197.191 Da
  • Monoisotopic mass197.080048 Da
  • ChemSpider ID25057920

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

{2-[(1S)-1-Aminoethyl]-4-methylen-5-oxo-4,5-dihydro-1H-imidazol-1-yl}essigsäure [German] [ACD/IUPAC Name]
{2-[(1S)-1-Aminoethyl]-4-methylene-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid [ACD/IUPAC Name]
1H-Imidazole-1-acetic acid, 2-[(1S)-1-aminoethyl]-4,5-dihydro-4-methylene-5-oxo- [ACD/Index Name]
Acide {2-[(1S)-1-aminoéthyl]-4-méthylène-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acétique [French] [ACD/IUPAC Name]
DIANHYDRO ALANINE-SERINE-GLYCINE

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

BBN369GK8Z [DBID]
UNII:BBN369GK8Z [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 366.5±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 67.3±6.0 kJ/mol
Flash Point: 175.5±30.7 °C
Index of Refraction: 1.627
Molar Refractivity: 48.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.99
ACD/LogD (pH 5.5): -3.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 96 Å2
Polarizability: 19.0±0.5 10-24cm3
Surface Tension: 56.9±7.0 dyne/cm
Molar Volume: 135.3±7.0 cm3

Click to predict properties on the Chemicalize site


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