methyl 5-oxo-5-[(2'S,3R)-2-oxo-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl]pentanoate

C20H26N2O4 — CID 165421143

IUPACmethyl 5-oxo-5-[(2'S,3R)-2-oxo-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl]pentanoate
SMILESCCC[C@@H]1N(C(=O)CCCC(=O)OC)CC[C@]12C(=O)Nc1ccccc12
InChIInChI=1S/C20H26N2O4/c1-3-7-16-20(14-8-4-5-9-15(14)21-19(20)25)12-13-22(16)17(23)10-6-11-18(24)26-2/h4-5,8-9,16H,3,6-7,10-13H2,1-2H3,(H,21,25)/t16-,20+/m0/s1
InChIKeyXHZMVBMCBLHDFR-OXJNMPFZSA-N
MW358.44 g/mol
LogP2.62
Rot. Bonds6

About methyl 5-oxo-5-[(2'S,3R)-2-oxo-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl]pentanoate

methyl 5-oxo-5-[(2'S,3R)-2-oxo-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl]pentanoate (PubChem CID 165421143) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is methyl 5-oxo-5-[(2'S,3R)-2-oxo-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl]pentanoate.

Molecular Properties

Compound Namemethyl 5-oxo-5-[(2'S,3R)-2-oxo-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl]pentanoate
PubChem CID165421143
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Namemethyl 5-oxo-5-[(2'S,3R)-2-oxo-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl]pentanoate
SMILESCCC[C@@H]1N(C(=O)CCCC(=O)OC)CC[C@]12C(=O)Nc1ccccc12
InChIInChI=1S/C20H26N2O4/c1-3-7-16-20(14-8-4-5-9-15(14)21-19(20)25)12-13-22(16)17(23)10-6-11-18(24)26-2/h4-5,8-9,16H,3,6-7,10-13H2,1-2H3,(H,21,25)/t16-,20+/m0/s1
InChIKeyXHZMVBMCBLHDFR-OXJNMPFZSA-N
XLogP2.62
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 5-oxo-5-[(2'S,3R)-2-oxo-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl]pentanoate with MolForge

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Related Compounds

(2'S,3R)-1'-(3-methylsulfonylpropanoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166615313
(2'S,3R)-1'-[2-(4-ethylpiperazin-1-yl)acetyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166620952
(2'S,3S)-2'-propyl-1'-(3-pyridin-4-ylpropanoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166618565
methyl 5-[2'-(1-methylpyrazol-4-yl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl]-5-oxopentanoate
CID 166614253
(2'S,3S)-1'-[2-(3-oxo-1,2-dihydropyrazol-4-yl)acetyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166613051
(2'S,3S)-1'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166618464
(2'S,3S)-1'-(2-methylbenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 165423546
formic acid;(2'S,3R)-1'-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)propanoyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 171322196
formic acid;N-[2-oxo-2-[(2'S,3R)-2-oxo-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl]ethyl]thiophene-2-sulfonamide
CID 171686558
(2'S,3S)-1'-(4-hydroxycyclohexanecarbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166618240
(2'S,3R)-1'-(2,3-difluoro-6-methoxybenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166615210
(2'S,3S)-1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 165427134

Frequently Asked Questions

What is the IUPAC name of methyl 5-oxo-5-[(2'S,3R)-2-oxo-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl]pentanoate?
The IUPAC name of methyl 5-oxo-5-[(2'S,3R)-2-oxo-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl]pentanoate (CID 165421143) is methyl 5-oxo-5-[(2'S,3R)-2-oxo-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl]pentanoate.
What is the SMILES notation for methyl 5-oxo-5-[(2'S,3R)-2-oxo-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl]pentanoate?
The canonical SMILES for methyl 5-oxo-5-[(2'S,3R)-2-oxo-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl]pentanoate is CCC[C@@H]1N(C(=O)CCCC(=O)OC)CC[C@]12C(=O)Nc1ccccc12.
What is the InChIKey of methyl 5-oxo-5-[(2'S,3R)-2-oxo-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl]pentanoate?
The InChIKey is XHZMVBMCBLHDFR-OXJNMPFZSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-3-7-16-20(14-8-4-5-9-15(14)21-19(20)25)12-13-22(16)17(23)10-6-11-18(24)26-2/h4-5,8-9,16H,3,6-7,10-13H2,1-2H3,(H,21,25)/t16-,20+/m0/s1.
What are the key properties of methyl 5-oxo-5-[(2'S,3R)-2-oxo-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl]pentanoate?
methyl 5-oxo-5-[(2'S,3R)-2-oxo-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl]pentanoate has a molecular weight of 358.44 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-oxo-5-[(2'S,3R)-2-oxo-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl]pentanoate is sourced from PubChem (CID 165421143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).