(2S,4S)-4-[[(3-Methoxyphenyl)methyl]amino]-1,2-pyrrolidinedicarboxylic Acid 1-(1,1-Dimethylethyl) 2-Methyl Ester - CAS 334999-43-8
Catalog: |
BB075889 |
Product Name: |
(2S,4S)-4-[[(3-Methoxyphenyl)methyl]amino]-1,2-pyrrolidinedicarboxylic Acid 1-(1,1-Dimethylethyl) 2-Methyl Ester |
CAS: |
334999-43-8 |
Synonyms: |
(2S,4S)-4-[[(3-Methoxyphenyl)methyl]amino]-1,2-pyrrolidinedicarboxylic Acid 1-(1,1-Dimethylethyl) 2-Methyl Ester; 1-O-Tert-butyl 2-O-methyl (2S,4S)-4-[(3-methoxyphenyl)methylamino]pyrrolidine-1,2-dicarboxylate; (2S,4S)-1-tert-Butyl 2-methyl 4-((3-methoxybenzyl)amino)pyrrolidine-1,2-dicarboxylate; (2S,4S)-4-[[(3-Methoxyphenyl)methyl]amino]-1,2-pyrrolidinedicarboxylic Acid 1-(1,1-Dimethylethyl) 2- |
IUPAC Name: | 1-O-tert-butyl 2-O-methyl (2S,4S)-4-[(3-methoxyphenyl)methylamino]pyrrolidine-1,2-dicarboxylate |
Description: | Intermediate in the preparation and formulation of proline derivatives for pharmaceutical and cosmetic uses as mediators of hedgehog signaling pathways. |
Molecular Weight: | 364.44 |
Molecular Formula: | C19H28N2O5 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CC(CC1C(=O)OC)NCC2=CC(=CC=C2)OC |
InChI: | InChI=1S/C19H28N2O5/c1-19(2,3)26-18(23)21-12-14(10-16(21)17(22)25-5)20-11-13-7-6-8-15(9-13)24-4/h6-9,14,16,20H,10-12H2,1-5H3/t14-,16-/m0/s1 |
InChI Key: | YIPPZGKXRWERCV-HOCLYGCPSA-N |
Solubility: | CD3OD |
Appearance: | Yellow Oil |
Storage: | -20°C Freezer |
Complexity: | 491 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 364.199822 |
Formal Charge: | 0 |
Heavy Atom Count: | 26 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 364.199822 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 77.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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