potassium;ethyl (3S)-3-[[3-(hydroxymethyl)-1-methylcyclobutanecarbonyl]amino]-3-(6-methoxy-3-pyridinyl)propanoate;ethyl (3S)-3-(6-methoxy-3-pyridinyl)-3-[(1-methyl-3-methylidenecyclobutanecarbonyl)amino]propanoate;bis(ethyl (3S)-3-(6-methoxy-3-pyridinyl)-3-[[1-methyl-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutanecarbonyl]amino]propanoate);3-methylidenecyclobutane-1-carbonitrile;1-methyl-3-methylidenecyclobutane-1-carbonitrile;1-methyl-3-methylidenecyclobutane-1-carboxylic acid;hydroxide

C110H149KN14O20 — CID 158343331

About potassium;ethyl (3S)-3-[[3-(hydroxymethyl)-1-methylcyclobutanecarbonyl]amino]-3-(6-methoxy-3-pyridinyl)propanoate;ethyl (3S)-3-(6-methoxy-3-pyridinyl)-3-[(1-methyl-3-methylidenecyclobutanecarbonyl)amino]propanoate;bis(ethyl (3S)-3-(6-methoxy-3-pyridinyl)-3-[[1-methyl-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutanecarbonyl]amino]propanoate);3-methylidenecyclobutane-1-carbonitrile;1-methyl-3-methylidenecyclobutane-1-carbonitrile;1-methyl-3-methylidenecyclobutane-1-carboxylic acid;hydroxide

potassium;ethyl (3S)-3-[[3-(hydroxymethyl)-1-methylcyclobutanecarbonyl]amino]-3-(6-methoxy-3-pyridinyl)propanoate;ethyl (3S)-3-(6-methoxy-3-pyridinyl)-3-[(1-methyl-3-methylidenecyclobutanecarbonyl)amino]propanoate;bis(ethyl (3S)-3-(6-methoxy-3-pyridinyl)-3-[[1-methyl-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutanecarbonyl]amino]propanoate);3-methylidenecyclobutane-1-carbonitrile;1-methyl-3-methylidenecyclobutane-1-carbonitrile;1-methyl-3-methylidenecyclobutane-1-carboxylic acid;hydroxide (PubChem CID 158343331) has the molecular formula C110H149KN14O20 and a molecular weight of 2026.58 g/mol. Its IUPAC name is potassium;ethyl (3S)-3-[[3-(hydroxymethyl)-1-methylcyclobutanecarbonyl]amino]-3-(6-methoxy-3-pyridinyl)propanoate;ethyl (3S)-3-(6-methoxy-3-pyridinyl)-3-[(1-methyl-3-methylidenecyclobutanecarbonyl)amino]propanoate;bis(ethyl (3S)-3-(6-methoxy-3-pyridinyl)-3-[[1-methyl-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutanecarbonyl]amino]propanoate);3-methylidenecyclobutane-1-carbonitrile;1-methyl-3-methylidenecyclobutane-1-carbonitrile;1-methyl-3-methylidenecyclobutane-1-carboxylic acid;hydroxide.

Molecular Properties

• Compound Name: potassium;ethyl (3S)-3-[[3-(hydroxymethyl)-1-methylcyclobutanecarbonyl]amino]-3-(6-methoxy-3-pyridinyl)propanoate;ethyl (3S)-3-(6-methoxy-3-pyridinyl)-3-[(1-methyl-3-methylidenecyclobutanecarbonyl)amino]propanoate;bis(ethyl (3S)-3-(6-methoxy-3-pyridinyl)-3-[[1-methyl-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutanecarbonyl]amino]propanoate);3-methylidenecyclobutane-1-carbonitrile;1-methyl-3-methylidenecyclobutane-1-carbonitrile;1-methyl-3-methylidenecyclobutane-1-carboxylic acid;hydroxide
• PubChem CID: 158343331
• Molecular Formula: C110H149KN14O20
• Molecular Weight: 2026.58 g/mol
• Exact Mass: 2025.07
• IUPAC Name: potassium;ethyl (3S)-3-[[3-(hydroxymethyl)-1-methylcyclobutanecarbonyl]amino]-3-(6-methoxy-3-pyridinyl)propanoate;ethyl (3S)-3-(6-methoxy-3-pyridinyl)-3-[(1-methyl-3-methylidenecyclobutanecarbonyl)amino]propanoate;bis(ethyl (3S)-3-(6-methoxy-3-pyridinyl)-3-[[1-methyl-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutanecarbonyl]amino]propanoate);3-methylidenecyclobutane-1-carbonitrile;1-methyl-3-methylidenecyclobutane-1-carbonitrile;1-methyl-3-methylidenecyclobutane-1-carboxylic acid;hydroxide
• SMILES: C=C1CC(C#N)C1.C=C1CC(C)(C#N)C1.C=C1CC(C)(C(=O)N[C@@H](CC(=O)OCC)c2ccc(OC)nc2)C1.C=C1CC(C)(C(=O)O)C1.CCOC(=O)C[C@H](NC(=O)C1(C)CC(CCc2ccc3c(n2)NCCC3)C1)c1ccc(OC)nc1.CCOC(=O)C[C@H](NC(=O)C1(C)CC(CCc2ccc3c(n2)NCCC3)C1)c1ccc(OC)nc1.CCOC(=O)C[C@H](NC(=O)C1(C)CC(CO)C1)c1ccc(OC)nc1.[K+].[OH-]
• InChI: InChI=1S/2C27H36N4O4.C18H26N2O5.C18H24N2O4.C7H9N.C7H10O2.C6H7N.K.H2O/c2*1-4-35-24(32)14-22(20-9-12-23(34-3)29-17-20)31-26(33)27(2)15-18(16-27)7-10-21-11-8-19-6-5-13-28-25(19)30-21;1-4-25-16(22)7-14(13-5-6-15(24-3)19-10-13)20-17(23)18(2)8-12(9-18)11-21;1-5-24-16(21)8-14(13-6-7-15(23-4)19-11-13)20-17(22)18(3)9-12(2)10-18;1-6-3-7(2,4-6)5-8;1-5-3-7(2,4-5)6(8)9;1-5-2-6(3-5)4-7;;/h2*8-9,11-12,17-18,22H,4-7,10,13-16H2,1-3H3,(H,28,30)(H,31,33);5-6,10,12,14,21H,4,7-9,11H2,1-3H3,(H,20,23);6-7,11,14H,2,5,8-10H2,1,3-4H3,(H,20,22);1,3-4H2,2H3;1,3-4H2,2H3,(H,8,9);6H,1-3H2;;1H2/q;;;;;;;+1;/p-1/t2*18?,22-,27?;12?,14-,18?;14-;;;;;/m0000...../s1
• InChIKey: GRKQJFODMHJGGC-SNWJGSMWSA-M
• XLogP: 13.77
• TPSA: 495.03 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 29
• Rotatable Bonds: 36
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2026.58
LogP ≤ 5	13.77
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of potassium;ethyl (3S)-3-[[3-(hydroxymethyl)-1-methylcyclobutanecarbonyl]amino]-3-(6-methoxy-3-pyridinyl)propanoate;ethyl (3S)-3-(6-methoxy-3-pyridinyl)-3-[(1-methyl-3-methylidenecyclobutanecarbonyl)amino]propanoate;bis(ethyl (3S)-3-(6-methoxy-3-pyridinyl)-3-[[1-methyl-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutanecarbonyl]amino]propanoate);3-methylidenecyclobutane-1-carbonitrile;1-methyl-3-methylidenecyclobutane-1-carbonitrile;1-methyl-3-methylidenecyclobutane-1-carboxylic acid;hydroxide?

The IUPAC name of potassium;ethyl (3S)-3-[[3-(hydroxymethyl)-1-methylcyclobutanecarbonyl]amino]-3-(6-methoxy-3-pyridinyl)propanoate;ethyl (3S)-3-(6-methoxy-3-pyridinyl)-3-[(1-methyl-3-methylidenecyclobutanecarbonyl)amino]propanoate;bis(ethyl (3S)-3-(6-methoxy-3-pyridinyl)-3-[[1-methyl-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutanecarbonyl]amino]propanoate);3-methylidenecyclobutane-1-carbonitrile;1-methyl-3-methylidenecyclobutane-1-carbonitrile;1-methyl-3-methylidenecyclobutane-1-carboxylic acid;hydroxide (CID 158343331) is potassium;ethyl (3S)-3-[[3-(hydroxymethyl)-1-methylcyclobutanecarbonyl]amino]-3-(6-methoxy-3-pyridinyl)propanoate;ethyl (3S)-3-(6-methoxy-3-pyridinyl)-3-[(1-methyl-3-methylidenecyclobutanecarbonyl)amino]propanoate;bis(ethyl (3S)-3-(6-methoxy-3-pyridinyl)-3-[[1-methyl-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutanecarbonyl]amino]propanoate);3-methylidenecyclobutane-1-carbonitrile;1-methyl-3-methylidenecyclobutane-1-carbonitrile;1-methyl-3-methylidenecyclobutane-1-carboxylic acid;hydroxide.

What is the SMILES notation for potassium;ethyl (3S)-3-[[3-(hydroxymethyl)-1-methylcyclobutanecarbonyl]amino]-3-(6-methoxy-3-pyridinyl)propanoate;ethyl (3S)-3-(6-methoxy-3-pyridinyl)-3-[(1-methyl-3-methylidenecyclobutanecarbonyl)amino]propanoate;bis(ethyl (3S)-3-(6-methoxy-3-pyridinyl)-3-[[1-methyl-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutanecarbonyl]amino]propanoate);3-methylidenecyclobutane-1-carbonitrile;1-methyl-3-methylidenecyclobutane-1-carbonitrile;1-methyl-3-methylidenecyclobutane-1-carboxylic acid;hydroxide?

The canonical SMILES for potassium;ethyl (3S)-3-[[3-(hydroxymethyl)-1-methylcyclobutanecarbonyl]amino]-3-(6-methoxy-3-pyridinyl)propanoate;ethyl (3S)-3-(6-methoxy-3-pyridinyl)-3-[(1-methyl-3-methylidenecyclobutanecarbonyl)amino]propanoate;bis(ethyl (3S)-3-(6-methoxy-3-pyridinyl)-3-[[1-methyl-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutanecarbonyl]amino]propanoate);3-methylidenecyclobutane-1-carbonitrile;1-methyl-3-methylidenecyclobutane-1-carbonitrile;1-methyl-3-methylidenecyclobutane-1-carboxylic acid;hydroxide is C=C1CC(C#N)C1.C=C1CC(C)(C#N)C1.C=C1CC(C)(C(=O)N[C@@H](CC(=O)OCC)c2ccc(OC)nc2)C1.C=C1CC(C)(C(=O)O)C1.CCOC(=O)C[C@H](NC(=O)C1(C)CC(CCc2ccc3c(n2)NCCC3)C1)c1ccc(OC)nc1.CCOC(=O)C[C@H](NC(=O)C1(C)CC(CCc2ccc3c(n2)NCCC3)C1)c1ccc(OC)nc1.CCOC(=O)C[C@H](NC(=O)C1(C)CC(CO)C1)c1ccc(OC)nc1.[K+].[OH-].

What is the InChIKey of potassium;ethyl (3S)-3-[[3-(hydroxymethyl)-1-methylcyclobutanecarbonyl]amino]-3-(6-methoxy-3-pyridinyl)propanoate;ethyl (3S)-3-(6-methoxy-3-pyridinyl)-3-[(1-methyl-3-methylidenecyclobutanecarbonyl)amino]propanoate;bis(ethyl (3S)-3-(6-methoxy-3-pyridinyl)-3-[[1-methyl-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutanecarbonyl]amino]propanoate);3-methylidenecyclobutane-1-carbonitrile;1-methyl-3-methylidenecyclobutane-1-carbonitrile;1-methyl-3-methylidenecyclobutane-1-carboxylic acid;hydroxide?

The InChIKey is GRKQJFODMHJGGC-SNWJGSMWSA-M. The full InChI is InChI=1S/2C27H36N4O4.C18H26N2O5.C18H24N2O4.C7H9N.C7H10O2.C6H7N.K.H2O/c2*1-4-35-24(32)14-22(20-9-12-23(34-3)29-17-20)31-26(33)27(2)15-18(16-27)7-10-21-11-8-19-6-5-13-28-25(19)30-21;1-4-25-16(22)7-14(13-5-6-15(24-3)19-10-13)20-17(23)18(2)8-12(9-18)11-21;1-5-24-16(21)8-14(13-6-7-15(23-4)19-11-13)20-17(22)18(3)9-12(2)10-18;1-6-3-7(2,4-6)5-8;1-5-3-7(2,4-5)6(8)9;1-5-2-6(3-5)4-7;;/h2*8-9,11-12,17-18,22H,4-7,10,13-16H2,1-3H3,(H,28,30)(H,31,33);5-6,10,12,14,21H,4,7-9,11H2,1-3H3,(H,20,23);6-7,11,14H,2,5,8-10H2,1,3-4H3,(H,20,22);1,3-4H2,2H3;1,3-4H2,2H3,(H,8,9);6H,1-3H2;;1H2/q;;;;;;;+1;/p-1/t2*18?,22-,27?;12?,14-,18?;14-;;;;;/m0000...../s1.

What are the key properties of potassium;ethyl (3S)-3-[[3-(hydroxymethyl)-1-methylcyclobutanecarbonyl]amino]-3-(6-methoxy-3-pyridinyl)propanoate;ethyl (3S)-3-(6-methoxy-3-pyridinyl)-3-[(1-methyl-3-methylidenecyclobutanecarbonyl)amino]propanoate;bis(ethyl (3S)-3-(6-methoxy-3-pyridinyl)-3-[[1-methyl-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutanecarbonyl]amino]propanoate);3-methylidenecyclobutane-1-carbonitrile;1-methyl-3-methylidenecyclobutane-1-carbonitrile;1-methyl-3-methylidenecyclobutane-1-carboxylic acid;hydroxide?

potassium;ethyl (3S)-3-[[3-(hydroxymethyl)-1-methylcyclobutanecarbonyl]amino]-3-(6-methoxy-3-pyridinyl)propanoate;ethyl (3S)-3-(6-methoxy-3-pyridinyl)-3-[(1-methyl-3-methylidenecyclobutanecarbonyl)amino]propanoate;bis(ethyl (3S)-3-(6-methoxy-3-pyridinyl)-3-[[1-methyl-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutanecarbonyl]amino]propanoate);3-methylidenecyclobutane-1-carbonitrile;1-methyl-3-methylidenecyclobutane-1-carbonitrile;1-methyl-3-methylidenecyclobutane-1-carboxylic acid;hydroxide has a molecular weight of 2026.58 g/mol, XLogP of 13.77, 36 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;ethyl (3S)-3-[[3-(hydroxymethyl)-1-methylcyclobutanecarbonyl]amino]-3-(6-methoxy-3-pyridinyl)propanoate;ethyl (3S)-3-(6-methoxy-3-pyridinyl)-3-[(1-methyl-3-methylidenecyclobutanecarbonyl)amino]propanoate;bis(ethyl (3S)-3-(6-methoxy-3-pyridinyl)-3-[[1-methyl-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutanecarbonyl]amino]propanoate);3-methylidenecyclobutane-1-carbonitrile;1-methyl-3-methylidenecyclobutane-1-carbonitrile;1-methyl-3-methylidenecyclobutane-1-carboxylic acid;hydroxide is sourced from PubChem (CID 158343331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).