(2S,4S)-1-(tert-butoxycarbonyl)-4-[4-(2-methoxyethyl)phenoxy]pyrrolidine-2-carboxylic acid

(2S,4S)-1-(tert-butoxycarbonyl)-4-[4-(2-methoxyethyl)phenoxy]pyrrolidine-2-carboxylic acid

CAS: 1217603-63-8

Formula: C19H27NO6

SMILES: COCCC1=CC=C(O[C@H]2C[C@H](N(C2)C(=O)OC(C)(C)C)C(O)=O)C=C1

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

InChI: InChI=1S/C19H27NO6/c1-19(2,3)26-18(23)20-12-15(11-16(20)17(21)22)25-14-7-5-13(6-8-14)9-10-24-4/h5-8,15-16H,9-12H2,1-4H3,(H,21,22)/t15-,16-/m0/s1

Composition: C (62.45%), H (7.45%), N (3.83%), O (26.27%)

Molar Mass: 365.426

Atom Count: 53

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	365.183837593
Formal Charge	0
FSP3	0.58
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	PRHIWKFRRWQFOQ-HOTGVXAUSA-N
Lipinski's Rule of Five	1
Molar Refractivity	94.96
Topological Polar Surface Area	85.3
Polarizability	37.3
Ring Count	2
Rotatable Bond Count	8

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