Found 11060 results

Search term: MF = 'C_{12}H_{14}N_{2}O_{3}'

ChemSpider 2D Image | (4S)-4-Amino-1-benzoyl-L-proline | C12H14N2O3

(4S)-4-Amino-1-benzoyl-L-proline

  • Molecular FormulaC12H14N2O3
  • Average mass234.251 Da
  • Monoisotopic mass234.100449 Da
  • ChemSpider ID23960617
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2S,4S)-4-AMINO-1-BENZOYL-PYRROLIDINE-2-CARBOXYLIC ACID
(4S)-4-Amino-1-benzoyl-L-prolin [German] [ACD/IUPAC Name]
(4S)-4-Amino-1-benzoyl-L-proline [ACD/IUPAC Name]
(4S)-4-Amino-1-benzoyl-L-proline [French] [ACD/IUPAC Name]
L-Proline, 4-amino-1-benzoyl-, (4S)- [ACD/Index Name]
MFCD03788065 [MDL number]
(2S,4S)-4-amino-1-(phenylcarbonyl)pyrrolidine-2-carboxylic acid
(2S,4S)-4-Amino-1-benzoylpyrrolidine-2-carboxylic acid
(2s,4s)-4-amino-1-benzoyl-pyrrolidine-2-carboxylicacid
(2S,4S)-4-Amino-1-benzoylpyrrolidine-2-carboxylicacid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 462.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.3±3.0 kJ/mol
Flash Point: 233.6±28.7 °C
Index of Refraction: 1.611
Molar Refractivity: 61.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.98
ACD/LogD (pH 5.5): -2.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 84 Å2
Polarizability: 24.3±0.5 10-24cm3
Surface Tension: 61.2±3.0 dyne/cm
Molar Volume: 176.6±3.0 cm3

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