[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-oxopyrrolidin-1-yl)benzoate

C22H20N2O4 — CID 9133683

IUPAC[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-oxopyrrolidin-1-yl)benzoate
SMILESC[C@@H](OC(=O)c1ccccc1N1CCCC1=O)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C22H20N2O4/c1-14(21(26)17-13-23-18-9-4-2-7-15(17)18)28-22(27)16-8-3-5-10-19(16)24-12-6-11-20(24)25/h2-5,7-10,13-14,23H,6,11-12H2,1H3/t14-/m1/s1
InChIKeyYTTAVZSPZAVYOR-CQSZACIVSA-N
MW376.41 g/mol
LogP3.72
Rot. Bonds5

About [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-oxopyrrolidin-1-yl)benzoate

[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-oxopyrrolidin-1-yl)benzoate (PubChem CID 9133683) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-oxopyrrolidin-1-yl)benzoate.

Molecular Properties

Compound Name[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-oxopyrrolidin-1-yl)benzoate
PubChem CID9133683
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-oxopyrrolidin-1-yl)benzoate
SMILESC[C@@H](OC(=O)c1ccccc1N1CCCC1=O)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C22H20N2O4/c1-14(21(26)17-13-23-18-9-4-2-7-15(17)18)28-22(27)16-8-3-5-10-19(16)24-12-6-11-20(24)25/h2-5,7-10,13-14,23H,6,11-12H2,1H3/t14-/m1/s1
InChIKeyYTTAVZSPZAVYOR-CQSZACIVSA-N
XLogP3.72
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-oxopyrrolidin-1-yl)benzoate with MolForge

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Related Compounds

[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate
CID 55442687
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)benzoate
CID 25492810
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9132405
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 55426862
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] benzoate
CID 42984005
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9132940
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(methylamino)benzoate
CID 42901001
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(difluoromethoxy)benzoate
CID 7609192
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-[(S)-methylsulfinyl]benzoate
CID 11927398
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate
CID 9066829
[(2R)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9132504
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-hydroxybenzoate
CID 46790132

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-oxopyrrolidin-1-yl)benzoate?
The IUPAC name of [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-oxopyrrolidin-1-yl)benzoate (CID 9133683) is [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-oxopyrrolidin-1-yl)benzoate.
What is the SMILES notation for [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-oxopyrrolidin-1-yl)benzoate?
The canonical SMILES for [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-oxopyrrolidin-1-yl)benzoate is C[C@@H](OC(=O)c1ccccc1N1CCCC1=O)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-oxopyrrolidin-1-yl)benzoate?
The InChIKey is YTTAVZSPZAVYOR-CQSZACIVSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-14(21(26)17-13-23-18-9-4-2-7-15(17)18)28-22(27)16-8-3-5-10-19(16)24-12-6-11-20(24)25/h2-5,7-10,13-14,23H,6,11-12H2,1H3/t14-/m1/s1.
What are the key properties of [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-oxopyrrolidin-1-yl)benzoate?
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-oxopyrrolidin-1-yl)benzoate has a molecular weight of 376.41 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-oxopyrrolidin-1-yl)benzoate is sourced from PubChem (CID 9133683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).