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| CAS No.: | 144978-35-8 |
|---|---|
| Name: | 1-BOC-D-PYROGLUTAMIC ACID ETHYL ESTER |
| Article Data: | 41 |
| Molecular Structure: | |
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| Formula: | C12H19NO5 |
| Molecular Weight: | 257.287 |
| Synonyms: | 1,2-Pyrrolidinedicarboxylicacid, 5-oxo-, 1-(1,1-dimethylethyl) 2-ethyl ester, (R)-;(R)-1-(tert-Butoxycarbonyl)-5-oxopyrrolidine-2-carboxylic acid ethyl ester; |
| Density: | 1.182 g/cm3 |
| Melting Point: | 54.0 to 58.0 °C |
| Boiling Point: | 374.983 °C at 760 mmHg |
| Flash Point: | 180.584 °C |
| Appearance: | white power |
| PSA: | 72.91000 |
| LogP: | 1.41350 |
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Specification
The 1,2-Pyrrolidinedicarboxylicacid, 5-oxo-, 1-(1,1-dimethylethyl) 2-ethyl ester, (2R)- is an organic compound with the formula C12H19NO5. The systematic name of this chemical is 1-tert-butyl 2-ethyl (2R)-5-oxopyrrolidine-1,2-dicarboxylate. With the CAS registry number 144978-35-8, it is also named as 1-Boc-D-pyroglutamic acid ethyl ester. The product's category is Amino Acids and Derivatives.
The other characteristics of 1,2-Pyrrolidinedicarboxylicacid, 5-oxo-, 1-(1,1-dimethylethyl) 2-ethyl ester, (2R)- can be summarized as: (1)ACD/LogP: 0.09; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5 ; (6)Polar Surface Area: 72.91 ?2; (7)Index of Refraction: 1.486; (8)Molar Refractivity: 62.54 cm3; (9)Molar Volume: 217.5 cm3; (10)Polarizability: 24.79×10-24 cm3; (11)Surface Tension: 43.2 dyne/cm; (12)Density: 1.182 g/cm3; (13)Flash Point: 180.6 °C ; (14)Enthalpy of Vaporization: 62.24 kJ/mol; (15)Boiling Point: 375 °C at 760 mmHg; (16)Vapour Pressure: 8.03E-06 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES:O=C(OC(C)(C)C)N1C(=O)CC[C@@H]1C(=O)OCC
2. InChI:InChI=1/C12H19NO5/c1-5-17-10(15)8-6-7-9(14)13(8)11(16)18-12(2,3)4/h8H,5-7H2,1-4H3/t8-/m1/s1
3. InChIKey:YWWWGFSJHCFVOW-MRVPVSSYBV
4. Std. InChI:InChI=1S/C12H19NO5/c1-5-17-10(15)8-6-7-9(14)13(8)11(16)18-12(2,3)4/h8H,5-7H2,1-4H3/t8-/m1/s1
5. Std. InChIKey:YWWWGFSJHCFVOW-MRVPVSSYSA-N