methyl (2R)-2-[[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]-3-(1H-indol-3-yl)propanoate

C26H27N3O4 — CID 46586392

IUPACmethyl (2R)-2-[[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]-3-(1H-indol-3-yl)propanoate
SMILESCOC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1CC(=O)N(c2ccc3c(c2)CCC3)C1
InChIInChI=1S/C26H27N3O4/c1-33-26(32)23(12-18-14-27-22-8-3-2-7-21(18)22)28-25(31)19-13-24(30)29(15-19)20-10-9-16-5-4-6-17(16)11-20/h2-3,7-11,14,19,23,27H,4-6,12-13,15H2,1H3,(H,28,31)/t19?,23-/m1/s1
InChIKeyDJPFPYQUTMNXHW-LEQGEALCSA-N
MW445.52 g/mol
LogP2.91
Rot. Bonds6

About methyl (2R)-2-[[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]-3-(1H-indol-3-yl)propanoate

methyl (2R)-2-[[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]-3-(1H-indol-3-yl)propanoate (PubChem CID 46586392) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is methyl (2R)-2-[[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]-3-(1H-indol-3-yl)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]-3-(1H-indol-3-yl)propanoate
PubChem CID46586392
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC Namemethyl (2R)-2-[[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]-3-(1H-indol-3-yl)propanoate
SMILESCOC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1CC(=O)N(c2ccc3c(c2)CCC3)C1
InChIInChI=1S/C26H27N3O4/c1-33-26(32)23(12-18-14-27-22-8-3-2-7-21(18)22)28-25(31)19-13-24(30)29(15-19)20-10-9-16-5-4-6-17(16)11-20/h2-3,7-11,14,19,23,27H,4-6,12-13,15H2,1H3,(H,28,31)/t19?,23-/m1/s1
InChIKeyDJPFPYQUTMNXHW-LEQGEALCSA-N
XLogP2.91
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-(1H-indol-3-yl)propanoate
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methyl (2S)-3-(1H-indol-3-yl)-2-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate
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methyl 2-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-(1H-indol-3-yl)propanoate
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methyl (2R)-2-[3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanoylamino]-3-(1H-indol-3-yl)propanoate
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(3S)-1-(2,3-dihydro-1H-inden-5-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
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methyl 2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)-3-(1H-indol-3-yl)propanoate
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methyl (2R)-2-[[2-(cyclohexanecarbonylamino)acetyl]amino]-3-(1H-indol-3-yl)propanoate
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(3S)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]-3-(1H-indol-3-yl)propanoate?
The IUPAC name of methyl (2R)-2-[[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]-3-(1H-indol-3-yl)propanoate (CID 46586392) is methyl (2R)-2-[[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]-3-(1H-indol-3-yl)propanoate.
What is the SMILES notation for methyl (2R)-2-[[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]-3-(1H-indol-3-yl)propanoate?
The canonical SMILES for methyl (2R)-2-[[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]-3-(1H-indol-3-yl)propanoate is COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1CC(=O)N(c2ccc3c(c2)CCC3)C1.
What is the InChIKey of methyl (2R)-2-[[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]-3-(1H-indol-3-yl)propanoate?
The InChIKey is DJPFPYQUTMNXHW-LEQGEALCSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-33-26(32)23(12-18-14-27-22-8-3-2-7-21(18)22)28-25(31)19-13-24(30)29(15-19)20-10-9-16-5-4-6-17(16)11-20/h2-3,7-11,14,19,23,27H,4-6,12-13,15H2,1H3,(H,28,31)/t19?,23-/m1/s1.
What are the key properties of methyl (2R)-2-[[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]-3-(1H-indol-3-yl)propanoate?
methyl (2R)-2-[[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]-3-(1H-indol-3-yl)propanoate has a molecular weight of 445.52 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]-3-(1H-indol-3-yl)propanoate is sourced from PubChem (CID 46586392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).