lithium;2-azaspiro[4.5]decane-3-carboxylic acid;2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylic acid;7-chloro-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]propanoate;methyl 2-azaspiro[4.5]decane-3-carboxylate;methyl (2S)-2-[[2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(1S)-4,4-dimethyl-2-oxocyclopentyl]propanoate;methyl 2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylate;hydroxide;trihydrochloride

C109H146Cl7LiN12O21 — CID 163830760

About lithium;2-azaspiro[4.5]decane-3-carboxylic acid;2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylic acid;7-chloro-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]propanoate;methyl 2-azaspiro[4.5]decane-3-carboxylate;methyl (2S)-2-[[2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(1S)-4,4-dimethyl-2-oxocyclopentyl]propanoate;methyl 2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylate;hydroxide;trihydrochloride

lithium;2-azaspiro[4.5]decane-3-carboxylic acid;2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylic acid;7-chloro-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]propanoate;methyl 2-azaspiro[4.5]decane-3-carboxylate;methyl (2S)-2-[[2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(1S)-4,4-dimethyl-2-oxocyclopentyl]propanoate;methyl 2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylate;hydroxide;trihydrochloride (PubChem CID 163830760) has the molecular formula C109H146Cl7LiN12O21 and a molecular weight of 2215.54 g/mol. Its IUPAC name is lithium;2-azaspiro[4.5]decane-3-carboxylic acid;2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylic acid;7-chloro-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]propanoate;methyl 2-azaspiro[4.5]decane-3-carboxylate;methyl (2S)-2-[[2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(1S)-4,4-dimethyl-2-oxocyclopentyl]propanoate;methyl 2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylate;hydroxide;trihydrochloride.

Molecular Properties

• Compound Name: lithium;2-azaspiro[4.5]decane-3-carboxylic acid;2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylic acid;7-chloro-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]propanoate;methyl 2-azaspiro[4.5]decane-3-carboxylate;methyl (2S)-2-[[2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(1S)-4,4-dimethyl-2-oxocyclopentyl]propanoate;methyl 2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylate;hydroxide;trihydrochloride
• PubChem CID: 163830760
• Molecular Formula: C109H146Cl7LiN12O21
• Molecular Weight: 2215.54 g/mol
• Exact Mass: 2210.87
• IUPAC Name: lithium;2-azaspiro[4.5]decane-3-carboxylic acid;2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylic acid;7-chloro-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]propanoate;methyl 2-azaspiro[4.5]decane-3-carboxylate;methyl (2S)-2-[[2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(1S)-4,4-dimethyl-2-oxocyclopentyl]propanoate;methyl 2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylate;hydroxide;trihydrochloride
• SMILES: COC(=O)C1CC2(CCCCC2)CN1.COC(=O)C1CC2(CCCCC2)CN1C(=O)c1cc2cccc(Cl)c2[nH]1.COC(=O)[C@@H](N)C[C@@H]1CC(C)(C)NC1=O.COC(=O)[C@H](C[C@@H]1CC(C)(C)CC1=O)NC(=O)C1CC2(CCCCC2)CN1C(=O)c1cc2cccc(Cl)c2[nH]1.Cl.Cl.Cl.O=C(O)C1CC2(CCCCC2)CN1.O=C(O)C1CC2(CCCCC2)CN1C(=O)c1cc2cccc(Cl)c2[nH]1.O=C(O)c1cc2cccc(Cl)c2[nH]1.[Li+].[OH-]
• InChI: InChI=1S/C30H38ClN3O5.C20H23ClN2O3.C19H21ClN2O3.C11H19NO2.C10H18N2O3.C10H17NO2.C9H6ClNO2.3ClH.Li.H2O/c1-29(2)14-19(24(35)16-29)13-22(28(38)39-3)33-26(36)23-15-30(10-5-4-6-11-30)17-34(23)27(37)21-12-18-8-7-9-20(31)25(18)32-21;1-26-19(25)16-11-20(8-3-2-4-9-20)12-23(16)18(24)15-10-13-6-5-7-14(21)17(13)22-15;20-13-6-4-5-12-9-14(21-16(12)13)17(23)22-11-19(7-2-1-3-8-19)10-15(22)18(24)25;1-14-10(13)9-7-11(8-12-9)5-3-2-4-6-11;1-10(2)5-6(8(13)12-10)4-7(11)9(14)15-3;12-9(13)8-6-10(7-11-8)4-2-1-3-5-10;10-6-3-1-2-5-4-7(9(12)13)11-8(5)6;;;;;/h7-9,12,19,22-23,32H,4-6,10-11,13-17H2,1-3H3,(H,33,36);5-7,10,16,22H,2-4,8-9,11-12H2,1H3;4-6,9,15,21H,1-3,7-8,10-11H2,(H,24,25);9,12H,2-8H2,1H3;6-7H,4-5,11H2,1-3H3,(H,12,13);8,11H,1-7H2,(H,12,13);1-4,11H,(H,12,13);3*1H;;1H2/q;;;;;;;;;;+1;/p-1/t19-,22+,23?;;;;6-,7+;;;;;;;/m1...1......./s1
• InChIKey: FXGDMTJRNPTQKL-DHVOSBEFSA-M
• XLogP: 16.53
• TPSA: 496.54 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 21
• Rotatable Bonds: 16
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2215.54
LogP ≤ 5	16.53
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;2-azaspiro[4.5]decane-3-carboxylic acid;2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylic acid;7-chloro-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]propanoate;methyl 2-azaspiro[4.5]decane-3-carboxylate;methyl (2S)-2-[[2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(1S)-4,4-dimethyl-2-oxocyclopentyl]propanoate;methyl 2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylate;hydroxide;trihydrochloride?

The IUPAC name of lithium;2-azaspiro[4.5]decane-3-carboxylic acid;2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylic acid;7-chloro-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]propanoate;methyl 2-azaspiro[4.5]decane-3-carboxylate;methyl (2S)-2-[[2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(1S)-4,4-dimethyl-2-oxocyclopentyl]propanoate;methyl 2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylate;hydroxide;trihydrochloride (CID 163830760) is lithium;2-azaspiro[4.5]decane-3-carboxylic acid;2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylic acid;7-chloro-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]propanoate;methyl 2-azaspiro[4.5]decane-3-carboxylate;methyl (2S)-2-[[2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(1S)-4,4-dimethyl-2-oxocyclopentyl]propanoate;methyl 2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylate;hydroxide;trihydrochloride.

What is the SMILES notation for lithium;2-azaspiro[4.5]decane-3-carboxylic acid;2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylic acid;7-chloro-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]propanoate;methyl 2-azaspiro[4.5]decane-3-carboxylate;methyl (2S)-2-[[2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(1S)-4,4-dimethyl-2-oxocyclopentyl]propanoate;methyl 2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylate;hydroxide;trihydrochloride?

The canonical SMILES for lithium;2-azaspiro[4.5]decane-3-carboxylic acid;2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylic acid;7-chloro-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]propanoate;methyl 2-azaspiro[4.5]decane-3-carboxylate;methyl (2S)-2-[[2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(1S)-4,4-dimethyl-2-oxocyclopentyl]propanoate;methyl 2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylate;hydroxide;trihydrochloride is COC(=O)C1CC2(CCCCC2)CN1.COC(=O)C1CC2(CCCCC2)CN1C(=O)c1cc2cccc(Cl)c2[nH]1.COC(=O)[C@@H](N)C[C@@H]1CC(C)(C)NC1=O.COC(=O)[C@H](C[C@@H]1CC(C)(C)CC1=O)NC(=O)C1CC2(CCCCC2)CN1C(=O)c1cc2cccc(Cl)c2[nH]1.Cl.Cl.Cl.O=C(O)C1CC2(CCCCC2)CN1.O=C(O)C1CC2(CCCCC2)CN1C(=O)c1cc2cccc(Cl)c2[nH]1.O=C(O)c1cc2cccc(Cl)c2[nH]1.[Li+].[OH-].

What is the InChIKey of lithium;2-azaspiro[4.5]decane-3-carboxylic acid;2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylic acid;7-chloro-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]propanoate;methyl 2-azaspiro[4.5]decane-3-carboxylate;methyl (2S)-2-[[2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(1S)-4,4-dimethyl-2-oxocyclopentyl]propanoate;methyl 2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylate;hydroxide;trihydrochloride?

The InChIKey is FXGDMTJRNPTQKL-DHVOSBEFSA-M. The full InChI is InChI=1S/C30H38ClN3O5.C20H23ClN2O3.C19H21ClN2O3.C11H19NO2.C10H18N2O3.C10H17NO2.C9H6ClNO2.3ClH.Li.H2O/c1-29(2)14-19(24(35)16-29)13-22(28(38)39-3)33-26(36)23-15-30(10-5-4-6-11-30)17-34(23)27(37)21-12-18-8-7-9-20(31)25(18)32-21;1-26-19(25)16-11-20(8-3-2-4-9-20)12-23(16)18(24)15-10-13-6-5-7-14(21)17(13)22-15;20-13-6-4-5-12-9-14(21-16(12)13)17(23)22-11-19(7-2-1-3-8-19)10-15(22)18(24)25;1-14-10(13)9-7-11(8-12-9)5-3-2-4-6-11;1-10(2)5-6(8(13)12-10)4-7(11)9(14)15-3;12-9(13)8-6-10(7-11-8)4-2-1-3-5-10;10-6-3-1-2-5-4-7(9(12)13)11-8(5)6;;;;;/h7-9,12,19,22-23,32H,4-6,10-11,13-17H2,1-3H3,(H,33,36);5-7,10,16,22H,2-4,8-9,11-12H2,1H3;4-6,9,15,21H,1-3,7-8,10-11H2,(H,24,25);9,12H,2-8H2,1H3;6-7H,4-5,11H2,1-3H3,(H,12,13);8,11H,1-7H2,(H,12,13);1-4,11H,(H,12,13);3*1H;;1H2/q;;;;;;;;;;+1;/p-1/t19-,22+,23?;;;;6-,7+;;;;;;;/m1...1......./s1.

What are the key properties of lithium;2-azaspiro[4.5]decane-3-carboxylic acid;2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylic acid;7-chloro-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]propanoate;methyl 2-azaspiro[4.5]decane-3-carboxylate;methyl (2S)-2-[[2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(1S)-4,4-dimethyl-2-oxocyclopentyl]propanoate;methyl 2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylate;hydroxide;trihydrochloride?

lithium;2-azaspiro[4.5]decane-3-carboxylic acid;2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylic acid;7-chloro-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]propanoate;methyl 2-azaspiro[4.5]decane-3-carboxylate;methyl (2S)-2-[[2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(1S)-4,4-dimethyl-2-oxocyclopentyl]propanoate;methyl 2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylate;hydroxide;trihydrochloride has a molecular weight of 2215.54 g/mol, XLogP of 16.53, 16 rotatable bonds, 12 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;2-azaspiro[4.5]decane-3-carboxylic acid;2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylic acid;7-chloro-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]propanoate;methyl 2-azaspiro[4.5]decane-3-carboxylate;methyl (2S)-2-[[2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(1S)-4,4-dimethyl-2-oxocyclopentyl]propanoate;methyl 2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylate;hydroxide;trihydrochloride is sourced from PubChem (CID 163830760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).