(2R,3R)-1-(2-methoxyethyl)-2-(2-methylphenyl)-6-oxopiperidine-3-carboxylic acid

(2R,3R)-1-(2-methoxyethyl)-2-(2-methylphenyl)-6-oxopiperidine-3-carboxylic acid

CAS: 1175889-18-5

Formula: C16H21NO4

SMILES: COCCN1[C@H]([C@@H](CCC1=O)C(O)=O)C1=C(C)C=CC=C1

IUPAC: (2R,3R)-1-(2-methoxyethyl)-2-(2-methylphenyl)-6-oxopiperidine-3-carboxylic acid

InChI: InChI=1S/C16H21NO4/c1-11-5-3-4-6-12(11)15-13(16(19)20)7-8-14(18)17(15)9-10-21-2/h3-6,13,15H,7-10H2,1-2H3,(H,19,20)/t13-,15+/m1/s1

Composition: C (65.96%), H (7.27%), N (4.81%), O (21.97%)

Molar Mass: 291.347

Atom Count: 42

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	291.14705816
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	GMKGGDSCSFXAOA-HIFRSBDPSA-N
Lipinski's Rule of Five	1
Molar Refractivity	78.21
Topological Polar Surface Area	66.84
Polarizability	30.37
Ring Count	2
Rotatable Bond Count	5

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