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

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

CAS: 869682-10-0

Formula: C18H25NO6

SMILES: CCOC1=CC=CC(O[C@H]2C[C@H](N(C2)C(=O)OC(C)(C)C)C(O)=O)=C1

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

InChI: InChI=1S/C18H25NO6/c1-5-23-12-7-6-8-13(9-12)24-14-10-15(16(20)21)19(11-14)17(22)25-18(2,3)4/h6-9,14-15H,5,10-11H2,1-4H3,(H,20,21)/t14-,15-/m0/s1

Composition: C (61.52%), H (7.17%), N (3.99%), O (27.32%)

Molar Mass: 351.399

Atom Count: 50

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	351.168187529
Formal Charge	0
FSP3	0.56
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	GVWFEWSPHMSSBL-GJZGRUSLSA-N
Lipinski's Rule of Five	1
Molar Refractivity	89.85
Topological Polar Surface Area	85.3
Polarizability	35.53
Ring Count	2
Rotatable Bond Count	7

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