ethyl (2R)-2-methyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]pyrrolidine-2-carboxylate

C19H24N2O3 — CID 97100067

IUPACethyl (2R)-2-methyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@@]1(C)CCCN1CC(=O)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C19H24N2O3/c1-4-24-18(23)19(3)10-7-11-21(19)12-16(22)17-13(2)20-15-9-6-5-8-14(15)17/h5-6,8-9,20H,4,7,10-12H2,1-3H3/t19-/m1/s1
InChIKeyCANFEATYVFAJPK-LJQANCHMSA-N
MW328.41 g/mol
LogP3.08
Rot. Bonds5

About ethyl (2R)-2-methyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]pyrrolidine-2-carboxylate

ethyl (2R)-2-methyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]pyrrolidine-2-carboxylate (PubChem CID 97100067) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is ethyl (2R)-2-methyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-2-methyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]pyrrolidine-2-carboxylate
PubChem CID97100067
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Nameethyl (2R)-2-methyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@@]1(C)CCCN1CC(=O)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C19H24N2O3/c1-4-24-18(23)19(3)10-7-11-21(19)12-16(22)17-13(2)20-15-9-6-5-8-14(15)17/h5-6,8-9,20H,4,7,10-12H2,1-3H3/t19-/m1/s1
InChIKeyCANFEATYVFAJPK-LJQANCHMSA-N
XLogP3.08
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl (2R)-2-methyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]pyrrolidine-2-carboxylate with MolForge

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Related Compounds

ethyl 4-(2-methyl-1H-indole-3-carbonyl)-1,4-diazepane-1-carboxylate
CID 110809009
1-(2-methyl-1H-indol-3-yl)-2-morpholin-4-ylethanone
CID 718235
1-(2-methyl-1H-indol-3-yl)-2-thiomorpholin-4-ylethanone
CID 659447
2-[(2S)-2-ethylpiperidin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 919474
1-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione
CID 7819513
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 947076
1-(2-methyl-1H-indol-3-yl)-2-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 920121
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 110935930
(3aS,7aS)-2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 2442421
ethyl 1-(2-methyl-1H-indole-3-carbonyl)piperidine-3-carboxylate
CID 51112478
2-methyl-1-[4-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]piperazin-1-yl]propan-1-one
CID 18086237
1-[4-(2-methyl-1H-indole-3-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 110805781

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-methyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]pyrrolidine-2-carboxylate?
The IUPAC name of ethyl (2R)-2-methyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]pyrrolidine-2-carboxylate (CID 97100067) is ethyl (2R)-2-methyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl (2R)-2-methyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl (2R)-2-methyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]pyrrolidine-2-carboxylate is CCOC(=O)[C@@]1(C)CCCN1CC(=O)c1c(C)[nH]c2ccccc12.
What is the InChIKey of ethyl (2R)-2-methyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]pyrrolidine-2-carboxylate?
The InChIKey is CANFEATYVFAJPK-LJQANCHMSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-4-24-18(23)19(3)10-7-11-21(19)12-16(22)17-13(2)20-15-9-6-5-8-14(15)17/h5-6,8-9,20H,4,7,10-12H2,1-3H3/t19-/m1/s1.
What are the key properties of ethyl (2R)-2-methyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]pyrrolidine-2-carboxylate?
ethyl (2R)-2-methyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]pyrrolidine-2-carboxylate has a molecular weight of 328.41 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-methyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 97100067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).