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

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

CAS: 1263178-31-9

Formula: C19H25NO4

SMILES: CC(C)(C)OC(=O)N1CC2(CCC(CC2)C(O)=O)C2=CC=CC=C12

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

InChI: InChI=1S/C19H25NO4/c1-18(2,3)24-17(23)20-12-19(14-6-4-5-7-15(14)20)10-8-13(9-11-19)16(21)22/h4-7,13H,8-12H2,1-3H3,(H,21,22)

Composition: C (68.86%), H (7.60%), N (4.23%), O (19.31%)

Molar Mass: 331.412

Atom Count: 49

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 331.178358289
Formal Charge 0
FSP3 0.58
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey SZDQJNCXPJMWOR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 89.89
Topological Polar Surface Area 66.84
Polarizability 35.22
Ring Count 3
Rotatable Bond Count 3

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