ChemSpider 2D Image | 1'-(2-Methylalanyl-O-benzyl-L-seryl)-1-(methylsulfonyl)-1,2-dihydrospiro[indole-3,4'-piperidine] | C27H36N4O5S

1'-(2-Methylalanyl-O-benzyl-L-seryl)-1-(methylsulfonyl)-1,2-dihydrospiro[indole-3,4'-piperidine]

  • Molecular FormulaC27H36N4O5S
  • Average mass528.664 Da
  • Monoisotopic mass528.240662 Da
  • ChemSpider ID4953380

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1'-(2-Methylalanyl-O-benzyl-L-seryl)-1-(methylsulfonyl)-1,2-dihydrospiro[indole-3,4'-piperidine] [ACD/IUPAC Name]
1'-(2-Methylalanyl-O-benzyl-L-seryl)-1-(methylsulfonyl)-1,2-dihydrospiro[indole-3,4'-piperidine] [German] [ACD/IUPAC Name]
1'-(2-Méthylalanyl-O-benzyl-L-séryl)-1-(méthylsulfonyl)-1,2-dihydrospiro[indole-3,4'-piperidine] [French] [ACD/IUPAC Name]
Propanamide, 2-amino-N-[(1S)-2-[1,2-dihydro-1-(methylsulfonyl)spiro[3H-indole-3,4'-piperidin]-1'-yl]-2-oxo-1-[(phenylmethoxy)methyl]ethyl]-2-methyl- [ACD/Index Name]
(S)-2-Amino-N-(3-(benzyloxy)-1-(1-(methylsulfonyl)spiro[indoline-3,4'-piperidin]-1'-yl)-1-oxopropan-2-yl)-2-methylpropanamide
167386-25-6 [RN]
ES-0026
MFCD18207761 [MDL number]
MK-0677 DER (L-isomer)

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.632
Molar Refractivity: 142.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 0.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.86
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 25.25
ACD/KOC (pH 7.4): 265.60
Polar Surface Area: 130 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 63.5±5.0 dyne/cm
Molar Volume: 400.1±5.0 cm3

Click to predict properties on the Chemicalize site


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