(2R,3R)-1-ethyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid

(2R,3R)-1-ethyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid

CAS: 1212189-30-4

Formula: C15H19NO4

SMILES: CCN1[C@H]([C@@H](CCC1=O)C(O)=O)C1=CC=C(OC)C=C1

IUPAC: (2R,3R)-1-ethyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid

InChI: InChI=1S/C15H19NO4/c1-3-16-13(17)9-8-12(15(18)19)14(16)10-4-6-11(20-2)7-5-10/h4-7,12,14H,3,8-9H2,1-2H3,(H,18,19)/t12-,14+/m1/s1

Composition: C (64.97%), H (6.91%), N (5.05%), O (23.08%)

Molar Mass: 277.32

Atom Count: 39

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	277.131408096
Formal Charge	0
FSP3	0.47
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	OOEQVBQHJUONDC-OCCSQVGLSA-N
Lipinski's Rule of Five	1
Molar Refractivity	73.34
Topological Polar Surface Area	66.84
Polarizability	28.6
Ring Count	2
Rotatable Bond Count	4

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