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

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

CAS: 1354484-56-2

Formula: C20H29NO5

SMILES: CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(O)=O)OC1=CC=C(C=C1)C(C)(C)C

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

InChI: InChI=1S/C20H29NO5/c1-19(2,3)13-7-9-14(10-8-13)25-15-11-16(17(22)23)21(12-15)18(24)26-20(4,5)6/h7-10,15-16H,11-12H2,1-6H3,(H,22,23)/t15-,16-/m0/s1

Composition: C (66.09%), H (8.04%), N (3.85%), O (22.01%)

Molar Mass: 363.454

Atom Count: 55

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	363.204573038
Formal Charge	0
FSP3	0.6
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	WFQUNWNJIHKUTH-HOTGVXAUSA-N
Lipinski's Rule of Five	1
Molar Refractivity	97.3
Topological Polar Surface Area	76.07
Polarizability	38.42
Ring Count	2
Rotatable Bond Count	6

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