ChemSpider 2D Image | (1R,2R,3R)-2-[(S)-Amino(carboxy)methyl]-3-(methoxymethyl)cyclopropanecarboxylic acid | C8H13NO5

(1R,2R,3R)-2-[(S)-Amino(carboxy)methyl]-3-(methoxymethyl)cyclopropanecarboxylic acid

  • Molecular FormulaC8H13NO5
  • Average mass203.193 Da
  • Monoisotopic mass203.079376 Da
  • ChemSpider ID23168513

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2R,3R)-2-[(S)-Amino(carboxy)methyl]-3-(methoxymethyl)cyclopropancarbonsäure [German] [ACD/IUPAC Name]
(1R,2R,3R)-2-[(S)-Amino(carboxy)methyl]-3-(methoxymethyl)cyclopropanecarboxylic acid [ACD/IUPAC Name]
Acide (1R,2R,3R)-2-[(S)-amino(carboxy)méthyl]-3-(méthoxyméthyl)cyclopropanecarboxylique [French] [ACD/IUPAC Name]
Cyclopropaneacetic acid, α-amino-2-carboxy-3-(methoxymethyl)-, (αS,1R,2R,3R)- [ACD/Index Name]
(1R,2R,3R)-2-((S)-Amino-carboxy-methyl)-3-methoxymethyl-cyclopropanecarboxylic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 414.0±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: 204.2±21.8 °C
Index of Refraction: 1.545
Molar Refractivity: 45.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -1.57
ACD/LogD (pH 5.5): -4.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 110 Å2
Polarizability: 18.0±0.5 10-24cm3
Surface Tension: 65.1±3.0 dyne/cm
Molar Volume: 143.3±3.0 cm3

Click to predict properties on the Chemicalize site


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