methyl (2'R,3R,5'R)-2-oxo-5'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate

C19H18N2O3 — CID 162648038

IUPACmethyl (2'R,3R,5'R)-2-oxo-5'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate
SMILESCOC(=O)[C@H]1C[C@]2(C(=O)Nc3ccccc32)[C@@H](c2ccccc2)N1
InChIInChI=1S/C19H18N2O3/c1-24-17(22)15-11-19(16(20-15)12-7-3-2-4-8-12)13-9-5-6-10-14(13)21-18(19)23/h2-10,15-16,20H,11H2,1H3,(H,21,23)/t15-,16-,19-/m1/s1
InChIKeyFFZBCFARMKYOPO-GPMSIDNRSA-N
MW322.36 g/mol
LogP2.15
Rot. Bonds2

About methyl (2'R,3R,5'R)-2-oxo-5'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate

methyl (2'R,3R,5'R)-2-oxo-5'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate (PubChem CID 162648038) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is methyl (2'R,3R,5'R)-2-oxo-5'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate.

Molecular Properties

Compound Namemethyl (2'R,3R,5'R)-2-oxo-5'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate
PubChem CID162648038
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Namemethyl (2'R,3R,5'R)-2-oxo-5'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate
SMILESCOC(=O)[C@H]1C[C@]2(C(=O)Nc3ccccc32)[C@@H](c2ccccc2)N1
InChIInChI=1S/C19H18N2O3/c1-24-17(22)15-11-19(16(20-15)12-7-3-2-4-8-12)13-9-5-6-10-14(13)21-18(19)23/h2-10,15-16,20H,11H2,1H3,(H,21,23)/t15-,16-,19-/m1/s1
InChIKeyFFZBCFARMKYOPO-GPMSIDNRSA-N
XLogP2.15
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (1S,2R,8S)-2'-oxospiro[1,3,5,6,7,8-hexahydropyrrolizine-2,3'-1H-indole]-1-carboxylate
CID 42506772
methyl (2'R,3S,3'R,5'S)-5'-(2,3-dichlorophenyl)-2-oxo-3'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate
CID 45490042
1-O'-tert-butyl 2-O'-methyl (2'S,3R,5'R)-2-oxo-5'-(phenylmethoxymethyl)spiro[1H-indole-3,4'-pyrrolidine]-1',2'-dicarboxylate
CID 101403103
methyl 3-[(3R,3'S,8'R,8'aR)-3'-(hydroxymethyl)-2,5'-dioxospiro[1H-indole-3,1'-2,3,6,7,8,8a-hexahydroindolizine]-8'-yl]propanoate
CID 177399284
methyl (1S,3S,8S)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-1-carboxylate
CID 129408698
methyl (2'R,3S,3'R,5'R)-5'-(4-bromophenyl)-3'-(4-fluorophenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate
CID 45490057
methyl (3S,3'aR,5'aS,9'aS)-5'a-methoxy-2,8'-dioxospiro[1H-indole-3,3'-2,3a,4,5,6,7,9,9a-octahydro-1H-pyrrolo[1,2-a]quinoline]-1'-carboxylate
CID 177097880
methyl (2'R,3S,5'S)-5'-[(1R)-1,2-dihydroxyethyl]-2'-(hydroxymethyl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate
CID 101091018
methyl 5-phenylpyrrolidine-2-carboxylate
CID 67257959
tert-butyl (2'R,3S)-2-oxo-2'-phenylspiro[1H-indole-3,4'-pyrrolidine]-1'-carboxylate
CID 71494321
1'-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3'-carboxylic acid
CID 71305423
(1'R,3S)-N-(cyclopropylmethyl)-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxamide
CID 97413025

Frequently Asked Questions

What is the IUPAC name of methyl (2'R,3R,5'R)-2-oxo-5'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate?
The IUPAC name of methyl (2'R,3R,5'R)-2-oxo-5'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate (CID 162648038) is methyl (2'R,3R,5'R)-2-oxo-5'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate.
What is the SMILES notation for methyl (2'R,3R,5'R)-2-oxo-5'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate?
The canonical SMILES for methyl (2'R,3R,5'R)-2-oxo-5'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate is COC(=O)[C@H]1C[C@]2(C(=O)Nc3ccccc32)[C@@H](c2ccccc2)N1.
What is the InChIKey of methyl (2'R,3R,5'R)-2-oxo-5'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate?
The InChIKey is FFZBCFARMKYOPO-GPMSIDNRSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-24-17(22)15-11-19(16(20-15)12-7-3-2-4-8-12)13-9-5-6-10-14(13)21-18(19)23/h2-10,15-16,20H,11H2,1H3,(H,21,23)/t15-,16-,19-/m1/s1.
What are the key properties of methyl (2'R,3R,5'R)-2-oxo-5'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate?
methyl (2'R,3R,5'R)-2-oxo-5'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate has a molecular weight of 322.36 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2'R,3R,5'R)-2-oxo-5'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate is sourced from PubChem (CID 162648038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).