(3S,4R)-1-(2-ethoxyethyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid

(3S,4R)-1-(2-ethoxyethyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid

CAS: 1186648-00-9

Formula: C16H23NO4

SMILES: CCOCCN1C[C@H]([C@@H](C1)C1=CC(OC)=CC=C1)C(O)=O

IUPAC: (3S,4R)-1-(2-ethoxyethyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid

InChI: InChI=1S/C16H23NO4/c1-3-21-8-7-17-10-14(15(11-17)16(18)19)12-5-4-6-13(9-12)20-2/h4-6,9,14-15H,3,7-8,10-11H2,1-2H3,(H,18,19)/t14-,15+/m0/s1

Composition: C (65.51%), H (7.90%), N (4.77%), O (21.81%)

Molar Mass: 293.363

Atom Count: 44

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	293.162708225
Formal Charge	0
FSP3	0.56
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	WRVBSWGDVVJZRD-LSDHHAIUSA-N
Lipinski's Rule of Five	1
Molar Refractivity	80.44
Topological Polar Surface Area	59
Polarizability	31.43
Ring Count	2
Rotatable Bond Count	7

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