ethyl 1-methyl-5-[2-oxo-2-[(2S,3S)-3-phenylpyrrolidin-2-yl]ethyl]indole-2-carboxylate

C24H26N2O3 — CID 152941788

IUPACethyl 1-methyl-5-[2-oxo-2-[(2S,3S)-3-phenylpyrrolidin-2-yl]ethyl]indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(CC(=O)[C@H]3NCC[C@H]3c3ccccc3)ccc2n1C
InChIInChI=1S/C24H26N2O3/c1-3-29-24(28)21-15-18-13-16(9-10-20(18)26(21)2)14-22(27)23-19(11-12-25-23)17-7-5-4-6-8-17/h4-10,13,15,19,23,25H,3,11-12,14H2,1-2H3/t19-,23-/m0/s1
InChIKeyUMYINXIXCRQZIF-CVDCTZTESA-N
MW390.48 g/mol
LogP3.61
Rot. Bonds6

About ethyl 1-methyl-5-[2-oxo-2-[(2S,3S)-3-phenylpyrrolidin-2-yl]ethyl]indole-2-carboxylate

ethyl 1-methyl-5-[2-oxo-2-[(2S,3S)-3-phenylpyrrolidin-2-yl]ethyl]indole-2-carboxylate (PubChem CID 152941788) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is ethyl 1-methyl-5-[2-oxo-2-[(2S,3S)-3-phenylpyrrolidin-2-yl]ethyl]indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-5-[2-oxo-2-[(2S,3S)-3-phenylpyrrolidin-2-yl]ethyl]indole-2-carboxylate
PubChem CID152941788
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Nameethyl 1-methyl-5-[2-oxo-2-[(2S,3S)-3-phenylpyrrolidin-2-yl]ethyl]indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(CC(=O)[C@H]3NCC[C@H]3c3ccccc3)ccc2n1C
InChIInChI=1S/C24H26N2O3/c1-3-29-24(28)21-15-18-13-16(9-10-20(18)26(21)2)14-22(27)23-19(11-12-25-23)17-7-5-4-6-8-17/h4-10,13,15,19,23,25H,3,11-12,14H2,1-2H3/t19-,23-/m0/s1
InChIKeyUMYINXIXCRQZIF-CVDCTZTESA-N
XLogP3.61
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-methyl-5-[[(2S,3S)-3-phenylpyrrolidine-2-carbonyl]amino]indole-2-carboxylate
CID 118089034
ethyl 5-fluoro-1-methylindole-2-carboxylate
CID 10775338
tert-butyl 5-[2-[(2S,3S)-3-(4-methoxyphenyl)pyrrolidin-2-yl]-2-oxoethyl]-1-benzofuran-2-carboxylate
CID 158176343
ethyl 1-[(4S,5S)-5-carbamoyl-4-phenylpyrrolidin-2-yl]indole-2-carboxylate;hydrochloride
CID 118089045
2-methyl-1-[(2S,3S)-3-phenylpyrrolidin-2-yl]propan-1-one
CID 59969688
methyl 3-phenylpyrrolidine-2-carboxylate
CID 18663579
(2R,3R)-3-phenylpyrrolidine-2-carboxylic acid;hydrochloride
CID 131632798
[5-(3-benzylpyrrolidin-3-yl)-2-ethoxycarbonylindol-1-yl]-methylborinic acid
CID 58119823
ethyl 5-[bis(2-chloroethyl)amino]-1-methylindole-2-carboxylate
CID 10688716
(2S,3S)-3-(3-methylphenyl)pyrrolidine-2-carboxylic acid
CID 124509776
ethyl 5-methoxy-1-methylpyrrolo[3,2-b]pyridine-2-carboxylate
CID 10489867
ethyl (2S)-3-(4-hydroxyphenyl)pyrrolidine-2-carboxylate;hydrobromide
CID 69351683

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-5-[2-oxo-2-[(2S,3S)-3-phenylpyrrolidin-2-yl]ethyl]indole-2-carboxylate?
The IUPAC name of ethyl 1-methyl-5-[2-oxo-2-[(2S,3S)-3-phenylpyrrolidin-2-yl]ethyl]indole-2-carboxylate (CID 152941788) is ethyl 1-methyl-5-[2-oxo-2-[(2S,3S)-3-phenylpyrrolidin-2-yl]ethyl]indole-2-carboxylate.
What is the SMILES notation for ethyl 1-methyl-5-[2-oxo-2-[(2S,3S)-3-phenylpyrrolidin-2-yl]ethyl]indole-2-carboxylate?
The canonical SMILES for ethyl 1-methyl-5-[2-oxo-2-[(2S,3S)-3-phenylpyrrolidin-2-yl]ethyl]indole-2-carboxylate is CCOC(=O)c1cc2cc(CC(=O)[C@H]3NCC[C@H]3c3ccccc3)ccc2n1C.
What is the InChIKey of ethyl 1-methyl-5-[2-oxo-2-[(2S,3S)-3-phenylpyrrolidin-2-yl]ethyl]indole-2-carboxylate?
The InChIKey is UMYINXIXCRQZIF-CVDCTZTESA-N. The full InChI is InChI=1S/C24H26N2O3/c1-3-29-24(28)21-15-18-13-16(9-10-20(18)26(21)2)14-22(27)23-19(11-12-25-23)17-7-5-4-6-8-17/h4-10,13,15,19,23,25H,3,11-12,14H2,1-2H3/t19-,23-/m0/s1.
What are the key properties of ethyl 1-methyl-5-[2-oxo-2-[(2S,3S)-3-phenylpyrrolidin-2-yl]ethyl]indole-2-carboxylate?
ethyl 1-methyl-5-[2-oxo-2-[(2S,3S)-3-phenylpyrrolidin-2-yl]ethyl]indole-2-carboxylate has a molecular weight of 390.48 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-5-[2-oxo-2-[(2S,3S)-3-phenylpyrrolidin-2-yl]ethyl]indole-2-carboxylate is sourced from PubChem (CID 152941788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).