(2S,4S)-1-(tert-butoxycarbonyl)-4-(2,3,5-trimethylphenoxy)pyrrolidine-2-carboxylic acid

(2S,4S)-1-(tert-butoxycarbonyl)-4-(2,3,5-trimethylphenoxy)pyrrolidine-2-carboxylic acid

CAS: 1217778-76-1

Formula: C19H27NO5

SMILES: CC1=CC(O[C@H]2C[C@H](N(C2)C(=O)OC(C)(C)C)C(O)=O)=C(C)C(C)=C1

IUPAC: (2S,4S)-1-[(tert-butoxy)carbonyl]-4-(2,3,5-trimethylphenoxy)pyrrolidine-2-carboxylic acid

InChI: InChI=1S/C19H27NO5/c1-11-7-12(2)13(3)16(8-11)24-14-9-15(17(21)22)20(10-14)18(23)25-19(4,5)6/h7-8,14-15H,9-10H2,1-6H3,(H,21,22)/t14-,15-/m0/s1

Composition: C (65.31%), H (7.79%), N (4.01%), O (22.89%)

Molar Mass: 349.427

Atom Count: 52

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	349.188922973
Formal Charge	0
FSP3	0.58
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	KOELDDFRSKUVKW-GJZGRUSLSA-N
Lipinski's Rule of Five	1
Molar Refractivity	93.76
Topological Polar Surface Area	76.07
Polarizability	36.43
Ring Count	2
Rotatable Bond Count	5

Suppliers

MATRIX SCIENTIFIC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	1217778-76-1		$219.25$219.25