[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 1-benzyl-5-oxopyrrolidine-3-carboxylate

C23H22N2O4 — CID 42898559

IUPAC[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 1-benzyl-5-oxopyrrolidine-3-carboxylate
SMILESCC(OC(=O)C1CC(=O)N(Cc2ccccc2)C1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C23H22N2O4/c1-15(22(27)19-12-24-20-10-6-5-9-18(19)20)29-23(28)17-11-21(26)25(14-17)13-16-7-3-2-4-8-16/h2-10,12,15,17,24H,11,13-14H2,1H3
InChIKeyOKFWLQTULPVCQF-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.33
Rot. Bonds6

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

[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 1-benzyl-5-oxopyrrolidine-3-carboxylate (PubChem CID 42898559) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 1-benzyl-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 1-benzyl-5-oxopyrrolidine-3-carboxylate
PubChem CID42898559
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 1-benzyl-5-oxopyrrolidine-3-carboxylate
SMILESCC(OC(=O)C1CC(=O)N(Cc2ccccc2)C1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C23H22N2O4/c1-15(22(27)19-12-24-20-10-6-5-9-18(19)20)29-23(28)17-11-21(26)25(14-17)13-16-7-3-2-4-8-16/h2-10,12,15,17,24H,11,13-14H2,1H3
InChIKeyOKFWLQTULPVCQF-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7798799
[2-(1H-indol-3-yl)-2-oxoethyl] (3S)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 7898518
[(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl] (3R)-1-benzyl-5-oxopyrrolidine-3-carboxylate
CID 98701392
cis-[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] (1S,2R)-2-methylcyclopropane-1-carboxylate
CID 8020011
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 55426862
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836505
1-benzyl-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 43007534
[(2R)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] (3S)-1-benzyl-5-oxopyrrolidine-3-carboxylate
CID 40814931
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] benzoate
CID 42984005
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] (3R)-1-benzyl-5-oxopyrrolidine-3-carboxylate
CID 2081357
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] (1S)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 9454513
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]acetate
CID 11928077

Frequently Asked Questions

What is the IUPAC name of [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 1-benzyl-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 1-benzyl-5-oxopyrrolidine-3-carboxylate (CID 42898559) is [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 1-benzyl-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 1-benzyl-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 1-benzyl-5-oxopyrrolidine-3-carboxylate is CC(OC(=O)C1CC(=O)N(Cc2ccccc2)C1)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 1-benzyl-5-oxopyrrolidine-3-carboxylate?
The InChIKey is OKFWLQTULPVCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-15(22(27)19-12-24-20-10-6-5-9-18(19)20)29-23(28)17-11-21(26)25(14-17)13-16-7-3-2-4-8-16/h2-10,12,15,17,24H,11,13-14H2,1H3.
What are the key properties of [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 1-benzyl-5-oxopyrrolidine-3-carboxylate?
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 1-benzyl-5-oxopyrrolidine-3-carboxylate has a molecular weight of 390.44 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 1-benzyl-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 42898559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).