ChemSpider 2D Image | N-(3-Carboxypropyl)-L-glutamine | C9H16N2O5

N-(3-Carboxypropyl)-L-glutamine

  • Molecular FormulaC9H16N2O5
  • Average mass232.234 Da
  • Monoisotopic mass232.105927 Da
  • ChemSpider ID21865667

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3183-72-0 [RN]
4-(L-γ-glutamylamino)butanoic acid
L-Glutamine, N-(3-carboxypropyl)- [ACD/Index Name]
N-(3-Carboxypropyl)-L-glutamin [German] [ACD/IUPAC Name]
N-(3-Carboxypropyl)-L-glutamine [ACD/IUPAC Name]
N-(3-Carboxypropyl)-L-glutamine [French] [ACD/IUPAC Name]
(2S)-2-amino-4-[(3-carboxypropyl)carbamoyl]butanoic acid
(2S)-2-amino-4-[(3-carboxypropyl)-C-hydroxycarbonimidoyl]butanoic acid
2418119 [Beilstein]
4-(Glutamylamino) butanoate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

  • Miscellaneous

    • Chemical Class:

      An <element>N</element>-acyl-<locant>gamma</locant>-aminobutyric acid resulting from the formal condensation of the amino group of 4-aminobutanoic acid with the <locant>gamma</locant>-carbxy group of <stereo>L</stereo>-glutamic acid. ChEBI CHEBI:49260
      An N-acyl-gamma-aminobutyric acid resulting from the formal condensation of the amino group of 4-aminobutanoic acid with the gamma-carbxy group of ; L-glutamic acid. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:49260
      An N-acyl-gamma-aminobutyric acid resulting from the formal condensation of the amino group of 4-aminobutanoic acid with the gamma-carbxy group of L-glutamic acid. ChEBI CHEBI:49260

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

Density: 1.3±0.1 g/cm3
Boiling Point: 591.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 96.3±6.0 kJ/mol
Flash Point: 311.2±30.1 °C
Index of Refraction: 1.524
Molar Refractivity: 54.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: -1.95
ACD/LogD (pH 5.5): -4.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 130 Å2
Polarizability: 21.4±0.5 10-24cm3
Surface Tension: 61.2±3.0 dyne/cm
Molar Volume: 176.3±3.0 cm3

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