(2S,4R)-4-[(3-bromophenyl)methyl]-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid

(2S,4R)-4-[(3-bromophenyl)methyl]-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid

CAS: 959579-64-7

Formula: C17H22BrNO4

SMILES: CC(C)(C)OC(=O)N1C[C@H](CC2=CC=CC(Br)=C2)C[C@H]1C(O)=O

IUPAC: (2S,4R)-4-[(3-bromophenyl)methyl]-1-[(tert-butoxy)carbonyl]pyrrolidine-2-carboxylic acid

InChI: InChI=1S/C17H22BrNO4/c1-17(2,3)23-16(22)19-10-12(9-14(19)15(20)21)7-11-5-4-6-13(18)8-11/h4-6,8,12,14H,7,9-10H2,1-3H3,(H,20,21)/t12-,14-/m1/s1

Composition: C (53.14%), H (5.77%), Br (20.79%), N (3.65%), O (16.65%)

Molar Mass: 384.27

Atom Count: 45

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	383.073221
Formal Charge	0
FSP3	0.53
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	LJWMMVJXISECMP-OCCSQVGLSA-N
Lipinski's Rule of Five	1
Molar Refractivity	89.85
Topological Polar Surface Area	66.84
Polarizability	35.13
Ring Count	2
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	959579-64-7		$455.57-$1,041.15$455.57$455.57$1,041.15$1,041.15