ChemSpider 2D Image | (2R)-Amino(1-hydroxy-4-propyl-1H-pyrazol-5-yl)acetic acid | C8H13N3O3

(2R)-Amino(1-hydroxy-4-propyl-1H-pyrazol-5-yl)acetic acid

  • Molecular FormulaC8H13N3O3
  • Average mass199.207 Da
  • Monoisotopic mass199.095688 Da
  • ChemSpider ID23342262
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2R)-Amino(1-hydroxy-4-propyl-1H-pyrazol-5-yl)acetic acid [ACD/IUPAC Name]
(2R)-Amino(1-hydroxy-4-propyl-1H-pyrazol-5-yl)essigsäure [German] [ACD/IUPAC Name]
(2R)-amino(1-hydroxy-4-propyl-1H-pyrazol-5-yl)ethanoic acid
1H-Pyrazole-5-acetic acid, α-amino-1-hydroxy-4-propyl-, (αR)- [ACD/Index Name]
Acide (2R)-amino(1-hydroxy-4-propyl-1H-pyrazol-5-yl)acétique [French] [ACD/IUPAC Name]
(R)-amino-(1-hydroxy-4-propyl-pyrazol-3-yl)-acetic acid
CHEMBL444979

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 428.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.1±3.0 kJ/mol
Flash Point: 213.1±31.5 °C
Index of Refraction: 1.625
Molar Refractivity: 48.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.49
ACD/LogD (pH 5.5): -2.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 19.1±0.5 10-24cm3
Surface Tension: 60.1±7.0 dyne/cm
Molar Volume: 136.1±7.0 cm3

Click to predict properties on the Chemicalize site






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