methyl 2-[[6-(4-methoxy-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carbonyl]amino]-3-(2-oxopyrrolidin-3-yl)propanoate

C26H32N4O6 — CID 166745021

IUPACmethyl 2-[[6-(4-methoxy-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carbonyl]amino]-3-(2-oxopyrrolidin-3-yl)propanoate
SMILESCOC(=O)C(CC1CCNC1=O)NC(=O)C1CC2(CCN1C(=O)c1cc3c(OC)cccc3[nH]1)CC2
InChIInChI=1S/C26H32N4O6/c1-35-21-5-3-4-17-16(21)13-18(28-17)24(33)30-11-9-26(7-8-26)14-20(30)23(32)29-19(25(34)36-2)12-15-6-10-27-22(15)31/h3-5,13,15,19-20,28H,6-12,14H2,1-2H3,(H,27,31)(H,29,32)
InChIKeyWKWZNYMPVPAUQL-UHFFFAOYSA-N
MW496.56 g/mol
LogP1.75
Rot. Bonds7

About methyl 2-[[6-(4-methoxy-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carbonyl]amino]-3-(2-oxopyrrolidin-3-yl)propanoate

methyl 2-[[6-(4-methoxy-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carbonyl]amino]-3-(2-oxopyrrolidin-3-yl)propanoate (PubChem CID 166745021) has the molecular formula C26H32N4O6 and a molecular weight of 496.56 g/mol. Its IUPAC name is methyl 2-[[6-(4-methoxy-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carbonyl]amino]-3-(2-oxopyrrolidin-3-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-[[6-(4-methoxy-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carbonyl]amino]-3-(2-oxopyrrolidin-3-yl)propanoate
PubChem CID166745021
Molecular FormulaC26H32N4O6
Molecular Weight496.56 g/mol
Exact Mass496.23
IUPAC Namemethyl 2-[[6-(4-methoxy-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carbonyl]amino]-3-(2-oxopyrrolidin-3-yl)propanoate
SMILESCOC(=O)C(CC1CCNC1=O)NC(=O)C1CC2(CCN1C(=O)c1cc3c(OC)cccc3[nH]1)CC2
InChIInChI=1S/C26H32N4O6/c1-35-21-5-3-4-17-16(21)13-18(28-17)24(33)30-11-9-26(7-8-26)14-20(30)23(32)29-19(25(34)36-2)12-15-6-10-27-22(15)31/h3-5,13,15,19-20,28H,6-12,14H2,1-2H3,(H,27,31)(H,29,32)
InChIKeyWKWZNYMPVPAUQL-UHFFFAOYSA-N
XLogP1.75
TPSA129.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.56
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[6-(4-methoxy-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carbonyl]amino]-3-(2-oxopyrrolidin-3-yl)propanoate with MolForge

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Related Compounds

N-[1-amino-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-6-(4-methoxy-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide
CID 166744873
(7S)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl]-6-(4-methoxy-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide
CID 162695312
(7S)-N-[1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-6-(4-methoxy-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide
CID 166745023
methyl (2S)-2-[[(1R)-2-(4-methoxy-1H-indole-2-carbonyl)-1,3-dihydroisoindole-1-carbonyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
CID 166840652
N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-6-(4-methoxy-1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carboxamide
CID 162479216
methyl (2S)-2-[[(2S,4S)-4-methoxy-1-(4-methoxy-1H-indole-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carbonyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate
CID 162479066
N-[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-6-(4-fluoro-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide
CID 162695871
(2R)-1-(4-methoxy-1H-indole-2-carbonyl)-4,4-dimethyl-N-[1-(methylamino)-2-(2-oxopyrrolidin-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 166840099
(3S,3aS,6aR)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)spiro[1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5,1'-cyclopropane]-3-carboxamide
CID 162695550
(2S,4S)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-fluoro-1-(4-methoxy-1H-indole-2-carbonyl)pyrrolidine-2-carboxamide
CID 171530313
2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-methyl-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-8-oxa-2-azaspiro[4.5]decane-3-carboxamide
CID 167229915
N-[1-amino-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-1-(4-methoxy-1H-indole-2-carbonyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide
CID 175458577

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-(4-methoxy-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carbonyl]amino]-3-(2-oxopyrrolidin-3-yl)propanoate?
The IUPAC name of methyl 2-[[6-(4-methoxy-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carbonyl]amino]-3-(2-oxopyrrolidin-3-yl)propanoate (CID 166745021) is methyl 2-[[6-(4-methoxy-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carbonyl]amino]-3-(2-oxopyrrolidin-3-yl)propanoate.
What is the SMILES notation for methyl 2-[[6-(4-methoxy-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carbonyl]amino]-3-(2-oxopyrrolidin-3-yl)propanoate?
The canonical SMILES for methyl 2-[[6-(4-methoxy-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carbonyl]amino]-3-(2-oxopyrrolidin-3-yl)propanoate is COC(=O)C(CC1CCNC1=O)NC(=O)C1CC2(CCN1C(=O)c1cc3c(OC)cccc3[nH]1)CC2.
What is the InChIKey of methyl 2-[[6-(4-methoxy-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carbonyl]amino]-3-(2-oxopyrrolidin-3-yl)propanoate?
The InChIKey is WKWZNYMPVPAUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O6/c1-35-21-5-3-4-17-16(21)13-18(28-17)24(33)30-11-9-26(7-8-26)14-20(30)23(32)29-19(25(34)36-2)12-15-6-10-27-22(15)31/h3-5,13,15,19-20,28H,6-12,14H2,1-2H3,(H,27,31)(H,29,32).
What are the key properties of methyl 2-[[6-(4-methoxy-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carbonyl]amino]-3-(2-oxopyrrolidin-3-yl)propanoate?
methyl 2-[[6-(4-methoxy-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carbonyl]amino]-3-(2-oxopyrrolidin-3-yl)propanoate has a molecular weight of 496.56 g/mol, XLogP of 1.75, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-(4-methoxy-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carbonyl]amino]-3-(2-oxopyrrolidin-3-yl)propanoate is sourced from PubChem (CID 166745021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).