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| CAS No.: | 128811-48-3 |
|---|---|
| Name: | (R)-N-BOC-5-METHOXYCARBONYL-2-PYRROLIDINONE |
| Article Data: | 13 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C11H17NO5 |
| Molecular Weight: | 243.26 |
| Synonyms: | 1,2-Pyrrolidinedicarboxylicacid, 5-oxo-, 1-(1,1-dimethylethyl) 2-methyl ester, (R)-;Methyl(R)-N-(tert-butoxycarbonyl)pyroglutamate;(R)-N-Boc-5-methoxycarbonyl-2-pyrrolidinone; |
| Density: | 1.21 g/cm3 |
| Melting Point: | 68-69 °C |
| Boiling Point: | 361.637 °C at 760 mmHg |
| Flash Point: | 172.512 °C |
| PSA: | 72.91000 |
| LogP: | 1.02340 |
- 128817-30-1Glycine,N,N'-[1-[[4-[[[(2-hydroxyethyl)amino]thioxomethyl]amino]phenyl]methyl]-1,2-ethanediyl]bis[N-(carboxymethyl)-,(S)- (9CI)
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- 128854-05-7Pyrazolo[3,4-c]pyrazol-3-amine,1,6-dihydro-
- 128854-10-42H-Pyrazolo[3,4-b]quinolin-4-amine, 5,6,7,8-tetrahydro-
- 128857-77-2Cyclo(L-alanylglycyl-L-arginylglycyl-L-a-aspartyl-L-seryl-L-prolyl)(9CI)
- 128-85-89,10-Anthracenedione,1-(methylamino)-4-[(4-methylphenyl)amino]-
- 128861-76-73-Thietanamine
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Specification
The systematic name of 1,2-Pyrrolidinedicarboxylicacid, 5-oxo-, 1-(1,1-dimethylethyl) 2-methyl ester, (2R)- is 1-tert-butyl 2-methyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate. With the CAS registry number 128811-48-3, it is also named as Boc-L-pyroglutamic acid methyl ester. The product's category is Amino Acids. In addition, its molecular formula is C11H17NO5 and molecular weight is 243.26.
The other characteristics of 1,2-Pyrrolidinedicarboxylicacid, 5-oxo-, 1-(1,1-dimethylethyl) 2-methyl ester, (2R)- can be summarized as: (1)ACD/LogP: -0.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.44; (4)ACD/LogD (pH 7.4): -0.44; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 13.75; (8)ACD/KOC (pH 7.4): 13.75; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 72.91 Å2; (13)Index of Refraction: 1.487; (14)Molar Refractivity: 57.9 cm3; (15)Molar Volume: 201 cm3; (16)Polarizability: 22.95×10-24cm3; (17)Surface Tension: 43.9 dyne/cm; (18)Density: 1.209 g/cm3; (19)Flash Point: 172.5 °C; (20)Enthalpy of Vaporization: 60.75 kJ/mol; (21)Boiling Point: 361.6 °C at 760 mmHg; (22)Vapour Pressure: 2.04E-05 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)OC
(2)InChI: InChI=1/C11H17NO5/c1-11(2,3)17-10(15)12-7(9(14)16-4)5-6-8(12)13/h7H,5-6H2,1-4H3/t7-/m0/s1
(3)InChIKey: FNTAOUUEQHKLIU-ZETCQYMHBG
(4)Std. InChI: InChI=1S/C11H17NO5/c1-11(2,3)17-10(15)12-7(9(14)16-4)5-6-8(12)13/h7H,5-6H2,1-4H3/t7-/m0/s1
(5)Std. InChIKey: FNTAOUUEQHKLIU-ZETCQYMHSA-N