Product Name

  • Name

    (2S)-N-Boc-5-methylpyrrolidine-2-carboxylic acid

  • EINECS
  • CAS No. 374929-20-1
  • Article Data3
  • CAS DataBase
  • Density 1.150 g/cm3
  • Solubility
  • Melting Point
  • Formula C11H19NO4
  • Boiling Point 343.2 °C at 760 mmHg
  • Molecular Weight 229.27
  • Flash Point 161.4 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 374929-20-1 ((2S)-N-Boc-5-methylpyrrolidine-2-carboxylic acid)
  • Hazard Symbols
  • Synonyms (2s)-n-boc-5-methylpyrrolidine-2-carboxylic acid;(2S)-1-(tert-Butoxycarbonyl)-5-methylpyrrolidine-2-carboxylic acid;(2S)-5-Methyl-1,2-pyrrolidinedicarboxylic acid 1-(1,1-dimethylethyl) ester
  • PSA 66.84000
  • LogP 1.79690

(2S)-N-Boc-5-methylpyrrolidine-2-carboxylic acid Specification

This chemical is called (2S)-N-Boc-5-methylpyrrolidine-2-carboxylic acid, and its systematic name is 1,2-pyrrolidinedicarboxylic acid, 5-methyl-, 1-(1,1-dimethylethyl) ester, (2S)-. With the molecular formula of C11H19NO4, its molecular weight is 229.27. The CAS registry number of this chemical is 374929-20-1.

Other characteristics of the (2S)-N-Boc-5-methylpyrrolidine-2-carboxylic acid can be summarised as followings: (1)ACD/LogP: 1.05; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 2.86; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 66.84 Å2; (11)Index of Refraction: 1.49; (12)Molar Refractivity: 57.64 cm3; (13)Molar Volume: 199.2 cm3; (14)Polarizability: 22.85×10-24cm3; (15)Surface Tension: 42 dyne/cm; (16)Density: 1.15 g/cm3; (17)Flash Point: 161.4 °C; (18)Enthalpy of Vaporization: 64.51 kJ/mol; (19)Boiling Point: 343.2 °C at 760 mmHg; (20)Vapour Pressure: 1.29E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: CC1CC[C@H](N1C(=O)OC(C)(C)C)C(=O)O
2.InChI: InChI=1/C11H19NO4/c1-7-5-6-8(9(13)14)12(7)10(15)16-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,13,14)/t7?,8-/m0/s1
3.InChIKey: BSAYEGDCKUEPNE-MQWKRIRWBA
4.Std. InChI: InChI=1S/C11H19NO4/c1-7-5-6-8(9(13)14)12(7)10(15)16-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,13,14)/t7?,8-/m0/s1
5.Std. InChIKey: BSAYEGDCKUEPNE-MQWKRIRWSA-N

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