(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-

Technical Data

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:	77.1Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3