tert-butyl (2'R,3S)-2-oxo-2'-phenylspiro[1H-indole-3,4'-pyrrolidine]-1'-carboxylate

C22H24N2O3 — CID 71494321

IUPACtert-butyl (2'R,3S)-2-oxo-2'-phenylspiro[1H-indole-3,4'-pyrrolidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@]2(C[C@@H]1c1ccccc1)C(=O)Nc1ccccc12
InChIInChI=1S/C22H24N2O3/c1-21(2,3)27-20(26)24-14-22(13-18(24)15-9-5-4-6-10-15)16-11-7-8-12-17(16)23-19(22)25/h4-12,18H,13-14H2,1-3H3,(H,23,25)/t18-,22-/m1/s1
InChIKeyIZQAQKYIVMJSEN-XMSQKQJNSA-N
MW364.45 g/mol
LogP4.26
Rot. Bonds1

About tert-butyl (2'R,3S)-2-oxo-2'-phenylspiro[1H-indole-3,4'-pyrrolidine]-1'-carboxylate

tert-butyl (2'R,3S)-2-oxo-2'-phenylspiro[1H-indole-3,4'-pyrrolidine]-1'-carboxylate (PubChem CID 71494321) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is tert-butyl (2'R,3S)-2-oxo-2'-phenylspiro[1H-indole-3,4'-pyrrolidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl (2'R,3S)-2-oxo-2'-phenylspiro[1H-indole-3,4'-pyrrolidine]-1'-carboxylate
PubChem CID71494321
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Nametert-butyl (2'R,3S)-2-oxo-2'-phenylspiro[1H-indole-3,4'-pyrrolidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@]2(C[C@@H]1c1ccccc1)C(=O)Nc1ccccc12
InChIInChI=1S/C22H24N2O3/c1-21(2,3)27-20(26)24-14-22(13-18(24)15-9-5-4-6-10-15)16-11-7-8-12-17(16)23-19(22)25/h4-12,18H,13-14H2,1-3H3,(H,23,25)/t18-,22-/m1/s1
InChIKeyIZQAQKYIVMJSEN-XMSQKQJNSA-N
XLogP4.26
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2'S,3S)-2'-methyl-1'-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylic acid
CID 123634212
tert-butyl (2R,4S)-4-hydroxy-4-methyl-2-phenylpiperidine-1-carboxylate
CID 131731160
tert-butyl (2S)-2-phenylaziridine-1-carboxylate
CID 11769967
tert-butyl 4,4-difluoro-2-phenylpiperidine-1-carboxylate
CID 67505810
tert-butyl (2S)-2-phenylpyrrolidine-1-carboxylate
CID 10999368
1'-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3'-carboxylic acid
CID 71305423
tert-butyl 3-methyl-2-oxo-1H-indole-3-carboxylate
CID 122220537
tert-butyl (2'S)-2'-carbamoyl-5-chloro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-carboxylate
CID 164777025
tert-butyl N-[4-[[2-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-2-oxoacetyl]amino]cyclohexyl]carbamate
CID 168892954
tert-butyl (4S)-2-oxo-4-phenylazetidine-1-carboxylate
CID 42598467
(2'S,3R)-4-methyl-1'-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxospiro[1H-quinoxaline-3,4'-pyrrolidine]-2'-carboxylic acid
CID 171733457
tert-butyl 3-oxo-5-phenylpyrazolidine-1-carboxylate
CID 102258450

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2'R,3S)-2-oxo-2'-phenylspiro[1H-indole-3,4'-pyrrolidine]-1'-carboxylate?
The IUPAC name of tert-butyl (2'R,3S)-2-oxo-2'-phenylspiro[1H-indole-3,4'-pyrrolidine]-1'-carboxylate (CID 71494321) is tert-butyl (2'R,3S)-2-oxo-2'-phenylspiro[1H-indole-3,4'-pyrrolidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl (2'R,3S)-2-oxo-2'-phenylspiro[1H-indole-3,4'-pyrrolidine]-1'-carboxylate?
The canonical SMILES for tert-butyl (2'R,3S)-2-oxo-2'-phenylspiro[1H-indole-3,4'-pyrrolidine]-1'-carboxylate is CC(C)(C)OC(=O)N1C[C@@]2(C[C@@H]1c1ccccc1)C(=O)Nc1ccccc12.
What is the InChIKey of tert-butyl (2'R,3S)-2-oxo-2'-phenylspiro[1H-indole-3,4'-pyrrolidine]-1'-carboxylate?
The InChIKey is IZQAQKYIVMJSEN-XMSQKQJNSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-21(2,3)27-20(26)24-14-22(13-18(24)15-9-5-4-6-10-15)16-11-7-8-12-17(16)23-19(22)25/h4-12,18H,13-14H2,1-3H3,(H,23,25)/t18-,22-/m1/s1.
What are the key properties of tert-butyl (2'R,3S)-2-oxo-2'-phenylspiro[1H-indole-3,4'-pyrrolidine]-1'-carboxylate?
tert-butyl (2'R,3S)-2-oxo-2'-phenylspiro[1H-indole-3,4'-pyrrolidine]-1'-carboxylate has a molecular weight of 364.45 g/mol, XLogP of 4.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2'R,3S)-2-oxo-2'-phenylspiro[1H-indole-3,4'-pyrrolidine]-1'-carboxylate is sourced from PubChem (CID 71494321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).