ChemSpider 2D Image | (1R,2R)-2-[(S)-Amino(carboxy)methyl]cyclopropanecarboxylic acid | C6H9NO4

(1R,2R)-2-[(S)-Amino(carboxy)methyl]cyclopropanecarboxylic acid

  • Molecular FormulaC6H9NO4
  • Average mass159.140 Da
  • Monoisotopic mass159.053162 Da
  • ChemSpider ID23135352

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,2R)-2-[(S)-Amino(carboxy)methyl]cyclopropancarbonsäure [German] [ACD/IUPAC Name]
(1R,2R)-2-[(S)-Amino(carboxy)methyl]cyclopropanecarboxylic acid [ACD/IUPAC Name]
Acide (1R,2R)-2-[(S)-amino(carboxy)méthyl]cyclopropanecarboxylique [French] [ACD/IUPAC Name]
Cyclopropaneacetic acid, α-amino-2-carboxy-, (αS,1R,2R)- [ACD/Index Name]
(1R,2R)-2-((S)-Amino(carboxy)methyl)cyclopropanecarboxylic acid
(1R,2R)-2-((S)-Amino-carboxy-methyl)-cyclopropanecarboxylic acid
117857-94-0 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 414.1±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 73.2±6.0 kJ/mol
Flash Point: 204.3±21.8 °C
Index of Refraction: 1.606
Molar Refractivity: 34.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.33
ACD/LogD (pH 5.5): -4.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 13.6±0.5 10-24cm3
Surface Tension: 93.0±3.0 dyne/cm
Molar Volume: 99.4±3.0 cm3

Click to predict properties on the Chemicalize site


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