ChemSpider 2D Image | (3S)-3-{[(2S)-5-Amino-1-(methylamino)-1,5-dioxo-2-pentanyl]carbamoyl}-5-(hydroxyamino)-5-oxopentanoic acid | C12H20N4O7

(3S)-3-{[(2S)-5-Amino-1-(methylamino)-1,5-dioxo-2-pentanyl]carbamoyl}-5-(hydroxyamino)-5-oxopentanoic acid

  • Molecular FormulaC12H20N4O7
  • Average mass332.310 Da
  • Monoisotopic mass332.133209 Da
  • ChemSpider ID23173139

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S)-3-{[(2S)-5-Amino-1-(methylamino)-1,5-dioxo-2-pentanyl]carbamoyl}-5-(hydroxyamino)-5-oxopentanoic acid [ACD/IUPAC Name]
(3S)-3-{[(2S)-5-Amino-1-(methylamino)-1,5-dioxo-2-pentanyl]carbamoyl}-5-(hydroxyamino)-5-oxopentansäure [German] [ACD/IUPAC Name]
(3S)-3-{[(2S)-5-amino-1-(methylamino)-1,5-dioxopentan-2-yl]carbamoyl}-5-(hydroxyamino)-5-oxopentanoic acid (non-preferred name)
Acide (3S)-3-{[(2S)-5-amino-1-(méthylamino)-1,5-dioxo-2-pentanyl]carbamoyl}-5-(hydroxyamino)-5-oxopentanoïque [French] [ACD/IUPAC Name]
Pentanoic acid, 3-[[[(1S)-4-amino-1-[(methylamino)carbonyl]-4-oxobutyl]amino]carbonyl]-5-(hydroxyamino)-5-oxo-, (3S)- [ACD/Index Name]
(S)-3-((S)-3-Carbamoyl-1-methylcarbamoyl-propylcarbamoyl)-4-hydroxycarbamoyl-butyric acid
CHEMBL309468
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL309468/

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.543
Molar Refractivity: 75.1±0.3 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -3.46
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): -6.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 188 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 65.0±3.0 dyne/cm
Molar Volume: 238.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement