[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] (3R)-1-benzyl-5-oxopyrrolidine-3-carboxylate

C23H22N2O4 — CID 2081357

IUPAC[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] (3R)-1-benzyl-5-oxopyrrolidine-3-carboxylate
SMILESCc1[nH]c2ccccc2c1C(=O)COC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C23H22N2O4/c1-15-22(18-9-5-6-10-19(18)24-15)20(26)14-29-23(28)17-11-21(27)25(13-17)12-16-7-3-2-4-8-16/h2-10,17,24H,11-14H2,1H3/t17-/m1/s1
InChIKeySERVAAXTCPAIDB-QGZVFWFLSA-N
MW390.44 g/mol
LogP3.25
Rot. Bonds6

About [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] (3R)-1-benzyl-5-oxopyrrolidine-3-carboxylate

[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] (3R)-1-benzyl-5-oxopyrrolidine-3-carboxylate (PubChem CID 2081357) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] (3R)-1-benzyl-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] (3R)-1-benzyl-5-oxopyrrolidine-3-carboxylate
PubChem CID2081357
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] (3R)-1-benzyl-5-oxopyrrolidine-3-carboxylate
SMILESCc1[nH]c2ccccc2c1C(=O)COC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C23H22N2O4/c1-15-22(18-9-5-6-10-19(18)24-15)20(26)14-29-23(28)17-11-21(27)25(13-17)12-16-7-3-2-4-8-16/h2-10,17,24H,11-14H2,1H3/t17-/m1/s1
InChIKeySERVAAXTCPAIDB-QGZVFWFLSA-N
XLogP3.25
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2,5-dimethyl-4-[2-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carbonyl]oxyacetyl]-1H-pyrrole-3-carboxylate
CID 40943702
[2-(4-methoxyphenyl)-2-oxoethyl] (3S)-1-benzyl-5-oxopyrrolidine-3-carboxylate
CID 7281674
diethyl 5-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)oxymethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate
CID 2997730
[2-(5-bromothiophen-2-yl)-2-oxoethyl] (3S)-1-benzyl-5-oxopyrrolidine-3-carboxylate
CID 2113605
[2-(4-methylanilino)-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate
CID 3404466
[2-(4-benzoyloxyphenyl)-2-oxoethyl] (3R)-1-benzyl-5-oxopyrrolidine-3-carboxylate
CID 9498360
[2-(1H-indol-3-yl)-2-oxoethyl] (3S)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 7898518
[2-(4-acetamidoanilino)-2-oxoethyl] (3R)-1-benzyl-5-oxopyrrolidine-3-carboxylate
CID 9067828
[2-(4-iodoanilino)-2-oxoethyl] (3R)-1-benzyl-5-oxopyrrolidine-3-carboxylate
CID 2397418
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate
CID 3507557
[2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxoethyl] (3R)-1-benzyl-5-oxopyrrolidine-3-carboxylate
CID 40875970
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] benzoate
CID 2689613

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] (3R)-1-benzyl-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] (3R)-1-benzyl-5-oxopyrrolidine-3-carboxylate (CID 2081357) is [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] (3R)-1-benzyl-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] (3R)-1-benzyl-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] (3R)-1-benzyl-5-oxopyrrolidine-3-carboxylate is Cc1[nH]c2ccccc2c1C(=O)COC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] (3R)-1-benzyl-5-oxopyrrolidine-3-carboxylate?
The InChIKey is SERVAAXTCPAIDB-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-15-22(18-9-5-6-10-19(18)24-15)20(26)14-29-23(28)17-11-21(27)25(13-17)12-16-7-3-2-4-8-16/h2-10,17,24H,11-14H2,1H3/t17-/m1/s1.
What are the key properties of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] (3R)-1-benzyl-5-oxopyrrolidine-3-carboxylate?
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] (3R)-1-benzyl-5-oxopyrrolidine-3-carboxylate has a molecular weight of 390.44 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] (3R)-1-benzyl-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 2081357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).