ChemSpider 2D Image | Methyl [(3S)-3-({(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}amino)-2-oxo-1-azepanyl]acetate | C17H29N3O6

Methyl [(3S)-3-({(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}amino)-2-oxo-1-azepanyl]acetate

  • Molecular FormulaC17H29N3O6
  • Average mass371.429 Da
  • Monoisotopic mass371.205627 Da
  • ChemSpider ID23156609
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

[(3S)-3-({(2R)-2-[2-(Hydroxyamino)-2-oxoéthyl]-4-méthylpentanoyl}amino)-2-oxo-1-azépanyl]acétate de méthyle [French] [ACD/IUPAC Name]
1H-Azepine-1-acetic acid, hexahydro-3-[[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methyl-1-oxopentyl]amino]-2-oxo-, methyl ester, (3S)- [ACD/Index Name]
Methyl [(3S)-3-({(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}amino)-2-oxo-1-azepanyl]acetate [ACD/IUPAC Name]
methyl [(3S)-3-({(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}amino)-2-oxoazepan-1-yl]acetate
Methyl-[(3S)-3-({(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}amino)-2-oxo-1-azepanyl]acetat [German] [ACD/IUPAC Name]
[(S)-3-((R)-2-Hydroxycarbamoylmethyl-4-methyl-pentanoylamino)-2-oxo-azepan-1-yl]-acetic acid methyl ester
CHEMBL62709

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.527
Molar Refractivity: 93.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: -0.44
ACD/LogD (pH 5.5): -0.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.92
ACD/LogD (pH 7.4): -0.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.66
Polar Surface Area: 125 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 51.6±5.0 dyne/cm
Molar Volume: 304.6±5.0 cm3

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