(2S,4S)-1-(tert-butoxycarbonyl)-4-(quinolin-8-yloxy)pyrrolidine-2-carboxylic acid

(2S,4S)-1-(tert-butoxycarbonyl)-4-(quinolin-8-yloxy)pyrrolidine-2-carboxylic acid

CAS: 1135208-43-3

Formula: C19H22N2O5

SMILES: CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(O)=O)OC1=CC=CC2=CC=CN=C12

IUPAC: (2S,4S)-1-[(tert-butoxy)carbonyl]-4-(quinolin-8-yloxy)pyrrolidine-2-carboxylic acid

InChI: InChI=1S/C19H22N2O5/c1-19(2,3)26-18(24)21-11-13(10-14(21)17(22)23)25-15-8-4-6-12-7-5-9-20-16(12)15/h4-9,13-14H,10-11H2,1-3H3,(H,22,23)/t13-,14-/m0/s1

Composition: C (63.68%), H (6.19%), N (7.82%), O (22.32%)

Molar Mass: 358.394

Atom Count: 48

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	358.152871816
Formal Charge	0
FSP3	0.42
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	OZSKDIYBVVSZNP-KBPBESRZSA-N
Lipinski's Rule of Five	1
Molar Refractivity	92.56
Topological Polar Surface Area	88.96
Polarizability	37.73
Ring Count	3
Rotatable Bond Count	5

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