N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-3-carboxamide;N-[(1S)-1-cyano-2-[(1S)-2-oxocyclopentyl]ethyl]-2-(4-methoxy-1H-indole-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-3-carboxamide;methyl (2S)-2-[[2-(4-methoxy-1H-indole-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate

C82H101N11O18 — CID 163814950

IUPACN-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-3-carboxamide;N-[(1S)-1-cyano-2-[(1S)-2-oxocyclopentyl]ethyl]-2-(4-methoxy-1H-indole-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-3-carboxamide;methyl (2S)-2-[[2-(4-methoxy-1H-indole-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate
SMILESCOC(=O)[C@H](C[C@@H]1CCCC1=O)NC(=O)C1CC2(CCOCC2)CN1C(=O)c1cc2c(OC)cccc2[nH]1.COc1cccc2[nH]c(C(=O)N3CC4(CCOCC4)CC3C(=O)N[C@@H](C[C@@H]3CCCC3=O)C(N)=O)cc12.COc1cccc2[nH]c(C(=O)N3CC4(CCOCC4)CC3C(=O)N[C@H](C#N)C[C@@H]3CCCC3=O)cc12
InChIInChI=1S/C28H35N3O7.C27H34N4O6.C27H32N4O5/c1-36-24-8-4-6-19-18(24)14-20(29-19)26(34)31-16-28(9-11-38-12-10-28)15-22(31)25(33)30-21(27(35)37-2)13-17-5-3-7-23(17)32;1-36-23-7-3-5-18-17(23)13-20(29-18)26(35)31-15-27(8-10-37-11-9-27)14-21(31)25(34)30-19(24(28)33)12-16-4-2-6-22(16)32;1-35-24-7-3-5-20-19(24)13-21(30-20)26(34)31-16-27(8-10-36-11-9-27)14-22(31)25(33)29-18(15-28)12-17-4-2-6-23(17)32/h4,6,8,14,17,21-22,29H,3,5,7,9-13,15-16H2,1-2H3,(H,30,33);3,5,7,13,16,19,21,29H,2,4,6,8-12,14-15H2,1H3,(H2,28,33)(H,30,34);3,5,7,13,17-18,22,30H,2,4,6,8-12,14,16H2,1H3,(H,29,33)/t17-,21-,22?;16-,19-,21?;17-,18-,22?/m000/s1
InChIKeyNQMWLFADJHFZPK-FOSGDXJCSA-N
MW1528.77 g/mol
LogP7.48
Rot. Bonds20

About N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-3-carboxamide;N-[(1S)-1-cyano-2-[(1S)-2-oxocyclopentyl]ethyl]-2-(4-methoxy-1H-indole-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-3-carboxamide;methyl (2S)-2-[[2-(4-methoxy-1H-indole-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate

N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-3-carboxamide;N-[(1S)-1-cyano-2-[(1S)-2-oxocyclopentyl]ethyl]-2-(4-methoxy-1H-indole-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-3-carboxamide;methyl (2S)-2-[[2-(4-methoxy-1H-indole-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate (PubChem CID 163814950) has the molecular formula C82H101N11O18 and a molecular weight of 1528.77 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-3-carboxamide;N-[(1S)-1-cyano-2-[(1S)-2-oxocyclopentyl]ethyl]-2-(4-methoxy-1H-indole-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-3-carboxamide;methyl (2S)-2-[[2-(4-methoxy-1H-indole-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate.

Molecular Properties

Compound NameN-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-3-carboxamide;N-[(1S)-1-cyano-2-[(1S)-2-oxocyclopentyl]ethyl]-2-(4-methoxy-1H-indole-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-3-carboxamide;methyl (2S)-2-[[2-(4-methoxy-1H-indole-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate
PubChem CID163814950
Molecular FormulaC82H101N11O18
Molecular Weight1528.77 g/mol
Exact Mass1527.73
IUPAC NameN-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-3-carboxamide;N-[(1S)-1-cyano-2-[(1S)-2-oxocyclopentyl]ethyl]-2-(4-methoxy-1H-indole-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-3-carboxamide;methyl (2S)-2-[[2-(4-methoxy-1H-indole-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate
SMILESCOC(=O)[C@H](C[C@@H]1CCCC1=O)NC(=O)C1CC2(CCOCC2)CN1C(=O)c1cc2c(OC)cccc2[nH]1.COc1cccc2[nH]c(C(=O)N3CC4(CCOCC4)CC3C(=O)N[C@@H](C[C@@H]3CCCC3=O)C(N)=O)cc12.COc1cccc2[nH]c(C(=O)N3CC4(CCOCC4)CC3C(=O)N[C@H](C#N)C[C@@H]3CCCC3=O)cc12
InChIInChI=1S/C28H35N3O7.C27H34N4O6.C27H32N4O5/c1-36-24-8-4-6-19-18(24)14-20(29-19)26(34)31-16-28(9-11-38-12-10-28)15-22(31)25(33)30-21(27(35)37-2)13-17-5-3-7-23(17)32;1-36-23-7-3-5-18-17(23)13-20(29-18)26(35)31-15-27(8-10-37-11-9-27)14-21(31)25(34)30-19(24(28)33)12-16-4-2-6-22(16)32;1-35-24-7-3-5-20-19(24)13-21(30-20)26(34)31-16-27(8-10-36-11-9-27)14-22(31)25(33)29-18(15-28)12-17-4-2-6-23(17)32/h4,6,8,14,17,21-22,29H,3,5,7,9-13,15-16H2,1-2H3,(H,30,33);3,5,7,13,16,19,21,29H,2,4,6,8-12,14-15H2,1H3,(H2,28,33)(H,30,34);3,5,7,13,17-18,22,30H,2,4,6,8-12,14,16H2,1H3,(H,29,33)/t17-,21-,22?;16-,19-,21?;17-,18-,22?/m000/s1
InChIKeyNQMWLFADJHFZPK-FOSGDXJCSA-N
XLogP7.48
TPSA395.37 Ų
H-Bond Donors7
H-Bond Acceptors19
Rotatable Bonds20
Heavy Atoms111
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001528.77
LogP ≤ 57.48
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1019

Analyze N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-3-carboxamide;N-[(1S)-1-cyano-2-[(1S)-2-oxocyclopentyl]ethyl]-2-(4-methoxy-1H-indole-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-3-carboxamide;methyl (2S)-2-[[2-(4-methoxy-1H-indole-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate with MolForge

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Related Compounds

N-[(1S)-1-cyano-2-[(1S)-2-oxocyclopentyl]ethyl]-2-(4-methoxy-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide
CID 160644653
N-[1-cyano-2-(2-oxocyclohexyl)ethyl]-6-(4-methoxy-1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carboxamide
CID 159806233
N-[(1S)-1-cyano-2-[(1S)-2-oxocyclohexyl]ethyl]-2-(4-methoxy-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide
CID 159426689
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
N-[1-cyano-2-(4,4-dimethyl-2-oxocyclopentyl)ethyl]-2-(4-methoxy-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide
CID 163426210
N-[1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]-2-(4-methoxy-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide
CID 166744848
(2S,4S)-4-tert-butyl-N-[(1S)-1-cyano-2-[(1S)-2-oxocyclopentyl]ethyl]-1-(4-methoxy-1H-indole-2-carbonyl)pyrrolidine-2-carboxamide
CID 163861462
methyl (2S)-2-[[(2S,4R)-1-(4-methoxy-1H-indole-2-carbonyl)-4-methylpyrrolidine-2-carbonyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate
CID 163810900
N-[(1S)-1-cyano-2-[(1S)-2-oxocyclohexyl]ethyl]-2-(4-methoxy-1H-indole-2-carbonyl)-2-aza-5-silaspiro[4.4]nonane-3-carboxamide
CID 163967982
(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
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
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

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-3-carboxamide;N-[(1S)-1-cyano-2-[(1S)-2-oxocyclopentyl]ethyl]-2-(4-methoxy-1H-indole-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-3-carboxamide;methyl (2S)-2-[[2-(4-methoxy-1H-indole-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate?
The IUPAC name of N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-3-carboxamide;N-[(1S)-1-cyano-2-[(1S)-2-oxocyclopentyl]ethyl]-2-(4-methoxy-1H-indole-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-3-carboxamide;methyl (2S)-2-[[2-(4-methoxy-1H-indole-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate (CID 163814950) is N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-3-carboxamide;N-[(1S)-1-cyano-2-[(1S)-2-oxocyclopentyl]ethyl]-2-(4-methoxy-1H-indole-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-3-carboxamide;methyl (2S)-2-[[2-(4-methoxy-1H-indole-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate.
What is the SMILES notation for N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-3-carboxamide;N-[(1S)-1-cyano-2-[(1S)-2-oxocyclopentyl]ethyl]-2-(4-methoxy-1H-indole-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-3-carboxamide;methyl (2S)-2-[[2-(4-methoxy-1H-indole-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate?
The canonical SMILES for N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-3-carboxamide;N-[(1S)-1-cyano-2-[(1S)-2-oxocyclopentyl]ethyl]-2-(4-methoxy-1H-indole-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-3-carboxamide;methyl (2S)-2-[[2-(4-methoxy-1H-indole-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate is COC(=O)[C@H](C[C@@H]1CCCC1=O)NC(=O)C1CC2(CCOCC2)CN1C(=O)c1cc2c(OC)cccc2[nH]1.COc1cccc2[nH]c(C(=O)N3CC4(CCOCC4)CC3C(=O)N[C@@H](C[C@@H]3CCCC3=O)C(N)=O)cc12.COc1cccc2[nH]c(C(=O)N3CC4(CCOCC4)CC3C(=O)N[C@H](C#N)C[C@@H]3CCCC3=O)cc12.
What is the InChIKey of N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-3-carboxamide;N-[(1S)-1-cyano-2-[(1S)-2-oxocyclopentyl]ethyl]-2-(4-methoxy-1H-indole-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-3-carboxamide;methyl (2S)-2-[[2-(4-methoxy-1H-indole-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate?
The InChIKey is NQMWLFADJHFZPK-FOSGDXJCSA-N. The full InChI is InChI=1S/C28H35N3O7.C27H34N4O6.C27H32N4O5/c1-36-24-8-4-6-19-18(24)14-20(29-19)26(34)31-16-28(9-11-38-12-10-28)15-22(31)25(33)30-21(27(35)37-2)13-17-5-3-7-23(17)32;1-36-23-7-3-5-18-17(23)13-20(29-18)26(35)31-15-27(8-10-37-11-9-27)14-21(31)25(34)30-19(24(28)33)12-16-4-2-6-22(16)32;1-35-24-7-3-5-20-19(24)13-21(30-20)26(34)31-16-27(8-10-36-11-9-27)14-22(31)25(33)29-18(15-28)12-17-4-2-6-23(17)32/h4,6,8,14,17,21-22,29H,3,5,7,9-13,15-16H2,1-2H3,(H,30,33);3,5,7,13,16,19,21,29H,2,4,6,8-12,14-15H2,1H3,(H2,28,33)(H,30,34);3,5,7,13,17-18,22,30H,2,4,6,8-12,14,16H2,1H3,(H,29,33)/t17-,21-,22?;16-,19-,21?;17-,18-,22?/m000/s1.
What are the key properties of N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-3-carboxamide;N-[(1S)-1-cyano-2-[(1S)-2-oxocyclopentyl]ethyl]-2-(4-methoxy-1H-indole-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-3-carboxamide;methyl (2S)-2-[[2-(4-methoxy-1H-indole-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate?
N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-3-carboxamide;N-[(1S)-1-cyano-2-[(1S)-2-oxocyclopentyl]ethyl]-2-(4-methoxy-1H-indole-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-3-carboxamide;methyl (2S)-2-[[2-(4-methoxy-1H-indole-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate has a molecular weight of 1528.77 g/mol, XLogP of 7.48, 20 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-3-carboxamide;N-[(1S)-1-cyano-2-[(1S)-2-oxocyclopentyl]ethyl]-2-(4-methoxy-1H-indole-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-3-carboxamide;methyl (2S)-2-[[2-(4-methoxy-1H-indole-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate is sourced from PubChem (CID 163814950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).