1'-(tert-butoxycarbonyl)-2-oxo-1H-spiro[indole-3,4'-piperidine]-5-carboxylic acid

1'-(tert-butoxycarbonyl)-2-oxo-1H-spiro[indole-3,4'-piperidine]-5-carboxylic acid

CAS: 946135-52-0

Formula: C18H22N2O5

SMILES: CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)NC1=CC=C(C=C21)C(O)=O

IUPAC: 1'-[(tert-butoxy)carbonyl]-2-oxo-1,2-dihydrospiro[indole-3,4'-piperidine]-5-carboxylic acid

InChI: InChI=1S/C18H22N2O5/c1-17(2,3)25-16(24)20-8-6-18(7-9-20)12-10-11(14(21)22)4-5-13(12)19-15(18)23/h4-5,10H,6-9H2,1-3H3,(H,19,23)(H,21,22)

Composition: C (62.42%), H (6.40%), N (8.09%), O (23.09%)

Molar Mass: 346.383

Atom Count: 47

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	346.152871816
Formal Charge	0
FSP3	0.5
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	FDYMBJJXDJNNJU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	92.14
Topological Polar Surface Area	95.94
Polarizability	34.62
Ring Count	3
Rotatable Bond Count	3

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