(2S,4R)-N-Boc-4-hydroxy-3,3-dimethylpyrrolidine-2-carboxylic acid supplier

Name
(2S,4R)-N-Boc-4-hydroxy-3,3-dimethylpyrrolidine-2-carboxylic acid
EINECS
CAS No. 173913-66-1
Article Data2
CAS DataBase
Density 1.208g/cm³
Solubility
Melting Point
Formula C₁₂H₂₁NO₅
Boiling Point 392.123 °C at 760 mmHg
Molecular Weight 259.302
Flash Point 190.95 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,2-Pyrrolidinedicarboxylicacid, 4-hydroxy-3,3-dimethyl-, 1-(1,1-dimethylethyl) ester, (2S-trans)-;(4R)-Hydroxy-3,3-dimethylpyrrolidine-1,(2S)-dicarboxylic acid 1-tert-butylester;(2S,4R)-4-Hydroxy-3,3-dimethyl-1,2-pyrrolidinedicarboxylic acid 1-(1,1-dimethylethyl) ester;
PSA 87.07000
LogP 1.01530

(2S,4R)-N-Boc-4-hydroxy-3,3-dimethylpyrrolidine-2-carboxylic acid Specification

The (2S,4R)-N-Boc-4-hydroxy-3,3-dimethylpyrrolidine-2-carboxylic acid with cas registry number of 173913-66-1, whose systematic name is (4R)-1-(tert-butoxycarbonyl)-4-hydroxy-3,3-dimethyl-L-proline.And it is also named 1,2-pyrrolidinedicarboxylic acid, 4-hydroxy-3,3-dimethyl-, 1-(1,1-dimethylethyl) ester, (2S,4R)-.

Physical properties about this chemical are: (1)ACD/LogP: 1.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 87.07 Å²; (13)Index of Refraction: 1.507; (14)Molar Refractivity: 63.847 cm³; (15)Molar Volume: 214.609 cm³; (16)Polarizability: 25.311×10^-24cm³; (17)Surface Tension: 46.567 dyne/cm; (18)Enthalpy of Vaporization: 74.21 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:O=C(OC(C)(C)C)N1[C@H](C(=O)O)C([C@@H](O)C1)(C)C;
(2)InChI:InChI=1/C12H21NO5/c1-11(2,3)18-10(17)13-6-7(14)12(4,5)8(13)9(15)16/h7-8,14H,6H2,1-5H3,(H,15,16)/t7-,8+/m0/s1; (3)InChIKey:KHLBNVGMWMAGJM-JGVFFNPUBE;
(4)Std. InChI:InChI=1S/C12H21NO5/c1-11(2,3)18-10(17)13-6-7(14)12(4,5)8(13)9(15)16/h7-8,14H,6H2,1-5H3,(H,15,16)/t7-,8+/m0/s1;
(5)Std. InChIKey:KHLBNVGMWMAGJM-JGVFFNPUSA-N

Product Name

(2S,4R)-N-Boc-4-hydroxy-3,3-dimethylpyrrolidine-2-carboxylic acid

(2S,4R)-N-Boc-4-hydroxy-3,3-dimethylpyrrolidine-2-carboxylic acid Specification

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