(2R,3R)-2-(3,4-dimethoxyphenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid

(2R,3R)-2-(3,4-dimethoxyphenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid

CAS: 1087712-85-3

Formula: C16H21NO6

SMILES: COCCN1[C@H]([C@@H](CC1=O)C(O)=O)C1=CC(OC)=C(OC)C=C1

IUPAC: (2R,3R)-2-(3,4-dimethoxyphenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid

InChI: InChI=1S/C16H21NO6/c1-21-7-6-17-14(18)9-11(16(19)20)15(17)10-4-5-12(22-2)13(8-10)23-3/h4-5,8,11,15H,6-7,9H2,1-3H3,(H,19,20)/t11-,15+/m1/s1

Composition: C (59.43%), H (6.55%), N (4.33%), O (29.69%)

Molar Mass: 323.345

Atom Count: 44

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	323.1368874
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	UXAHIECSCRQIBJ-ABAIWWIYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	81.49
Topological Polar Surface Area	85.3
Polarizability	31.87
Ring Count	2
Rotatable Bond Count	7

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