ChemSpider 2D Image | 2-[(3S)-3-{[(TERT-BUTOXY)CARBONYL](CYCLOPROPYL)AMINO}PYRROLIDIN-1-YL]ACETIC ACID | C14H24N2O4

2-[(3S)-3-{[(TERT-BUTOXY)CARBONYL](CYCLOPROPYL)AMINO}PYRROLIDIN-1-YL]ACETIC ACID

  • Molecular FormulaC14H24N2O4
  • Average mass284.351 Da
  • Monoisotopic mass284.173615 Da
  • ChemSpider ID28299635
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

[(3S)-3-(Cyclopropyl{[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1-pyrrolidinyl]acetic acid [ACD/IUPAC Name]
[(3S)-3-(Cyclopropyl{[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1-pyrrolidinyl]essigsäure [German] [ACD/IUPAC Name]
1354004-55-9 [RN]
1-Pyrrolidineacetic acid, 3-[cyclopropyl[(1,1-dimethylethoxy)carbonyl]amino]-, (3S)- [ACD/Index Name]
2-[(3S)-3-{[(TERT-BUTOXY)CARBONYL](CYCLOPROPYL)AMINO}PYRROLIDIN-1-YL]ACETIC ACID
Acide [(3S)-3-(cyclopropyl{[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-1-pyrrolidinyl]acétique [French] [ACD/IUPAC Name]
(S)-2-(3-((tert-Butoxycarbonyl)(cyclopropyl)amino)pyrrolidin-1-yl)acetic acid
[(3S)-3-[(TERT-BUTOXYCARBONYL)(CYCLOPROPYL)AMINO]PYRROLIDIN-1-YL]ACETIC ACID
[(S)-3-(tert-Butoxycarbonylcyclopropylamino)pyrrolidin-1-yl]acetic acid
[(S)-3-(tert-Butoxycarbonyl-cyclopropylamino)pyrrolidin-1-yl]acetic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 409.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 72.5±6.0 kJ/mol
Flash Point: 201.2±28.7 °C
Index of Refraction: 1.544
Molar Refractivity: 74.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.99
ACD/LogD (pH 5.5): -0.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 70 Å2
Polarizability: 29.3±0.5 10-24cm3
Surface Tension: 50.3±5.0 dyne/cm
Molar Volume: 234.4±5.0 cm3

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