lithium;(4R)-4-benzyl-3-[4-(2-methyl-1,3-dioxolan-2-yl)butanoyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-1,3-oxazolidin-3-id-2-one;1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hexane-1,5-dione;3-(6-methoxy-3-pyridinyl)-6-[(3S)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]hexanoic acid;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3S)-2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]hexanoate;5-oxohexanoic acid

C103H134LiN11O21 — CID 161383292

About lithium;(4R)-4-benzyl-3-[4-(2-methyl-1,3-dioxolan-2-yl)butanoyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-1,3-oxazolidin-3-id-2-one;1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hexane-1,5-dione;3-(6-methoxy-3-pyridinyl)-6-[(3S)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]hexanoic acid;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3S)-2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]hexanoate;5-oxohexanoic acid

lithium;(4R)-4-benzyl-3-[4-(2-methyl-1,3-dioxolan-2-yl)butanoyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-1,3-oxazolidin-3-id-2-one;1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hexane-1,5-dione;3-(6-methoxy-3-pyridinyl)-6-[(3S)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]hexanoic acid;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3S)-2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]hexanoate;5-oxohexanoic acid (PubChem CID 161383292) has the molecular formula C103H134LiN11O21 and a molecular weight of 1869.20 g/mol. Its IUPAC name is lithium;(4R)-4-benzyl-3-[4-(2-methyl-1,3-dioxolan-2-yl)butanoyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-1,3-oxazolidin-3-id-2-one;1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hexane-1,5-dione;3-(6-methoxy-3-pyridinyl)-6-[(3S)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]hexanoic acid;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3S)-2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]hexanoate;5-oxohexanoic acid.

Molecular Properties

• Compound Name: lithium;(4R)-4-benzyl-3-[4-(2-methyl-1,3-dioxolan-2-yl)butanoyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-1,3-oxazolidin-3-id-2-one;1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hexane-1,5-dione;3-(6-methoxy-3-pyridinyl)-6-[(3S)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]hexanoic acid;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3S)-2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]hexanoate;5-oxohexanoic acid
• PubChem CID: 161383292
• Molecular Formula: C103H134LiN11O21
• Molecular Weight: 1869.20 g/mol
• Exact Mass: 1867.99
• IUPAC Name: lithium;(4R)-4-benzyl-3-[4-(2-methyl-1,3-dioxolan-2-yl)butanoyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-1,3-oxazolidin-3-id-2-one;1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hexane-1,5-dione;3-(6-methoxy-3-pyridinyl)-6-[(3S)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]hexanoic acid;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3S)-2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]hexanoate;5-oxohexanoic acid
• SMILES: CC(=O)CCCC(=O)N1C(=O)OC[C@H]1Cc1ccccc1.CC(=O)CCCC(=O)O.CC1(CCCC(=O)N2C(=O)OC[C@H]2Cc2ccccc2)OCCO1.COC(=O)CC(CCCN1CC[C@H](CCc2ccc3c(n2)NCCC3)C1=O)c1ccc(OC)nc1.COc1ccc(C(CCCN2CC[C@H](CCc3ccc4c(n3)NCCC4)C2)CC(=O)O)cn1.O=C1[N-][C@H](Cc2ccccc2)CO1.[Li+]
• InChI: InChI=1S/C27H36N4O4.C26H36N4O3.C18H23NO5.C16H19NO4.C10H11NO2.C6H10O3.Li/c1-34-24-12-9-22(18-29-24)21(17-25(32)35-2)6-4-15-31-16-13-20(27(31)33)8-11-23-10-7-19-5-3-14-28-26(19)30-23;1-33-24-11-8-22(17-28-24)21(16-25(31)32)5-3-14-30-15-12-19(18-30)6-9-23-10-7-20-4-2-13-27-26(20)29-23;1-18(23-10-11-24-18)9-5-8-16(20)19-15(13-22-17(19)21)12-14-6-3-2-4-7-14;1-12(18)6-5-9-15(19)17-14(11-21-16(17)20)10-13-7-3-2-4-8-13;12-10-11-9(7-13-10)6-8-4-2-1-3-5-8;1-5(7)3-2-4-6(8)9;/h7,9-10,12,18,20-21H,3-6,8,11,13-17H2,1-2H3,(H,28,30);7-8,10-11,17,19,21H,2-6,9,12-16,18H2,1H3,(H,27,29)(H,31,32);2-4,6-7,15H,5,8-13H2,1H3;2-4,7-8,14H,5-6,9-11H2,1H3;1-5,9H,6-7H2,(H,11,12);2-4H2,1H3,(H,8,9);/q;;;;;;+1/p-1/t20-,21?;19-,21?;15-;14-;9-;;/m00111../s1
• InChIKey: VRZTZDRYORPDAH-ZEZKXQKISA-M
• XLogP: 12.69
• TPSA: 404.75 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 40
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1869.20
LogP ≤ 5	12.69
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;(4R)-4-benzyl-3-[4-(2-methyl-1,3-dioxolan-2-yl)butanoyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-1,3-oxazolidin-3-id-2-one;1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hexane-1,5-dione;3-(6-methoxy-3-pyridinyl)-6-[(3S)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]hexanoic acid;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3S)-2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]hexanoate;5-oxohexanoic acid?

The IUPAC name of lithium;(4R)-4-benzyl-3-[4-(2-methyl-1,3-dioxolan-2-yl)butanoyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-1,3-oxazolidin-3-id-2-one;1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hexane-1,5-dione;3-(6-methoxy-3-pyridinyl)-6-[(3S)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]hexanoic acid;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3S)-2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]hexanoate;5-oxohexanoic acid (CID 161383292) is lithium;(4R)-4-benzyl-3-[4-(2-methyl-1,3-dioxolan-2-yl)butanoyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-1,3-oxazolidin-3-id-2-one;1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hexane-1,5-dione;3-(6-methoxy-3-pyridinyl)-6-[(3S)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]hexanoic acid;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3S)-2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]hexanoate;5-oxohexanoic acid.

What is the SMILES notation for lithium;(4R)-4-benzyl-3-[4-(2-methyl-1,3-dioxolan-2-yl)butanoyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-1,3-oxazolidin-3-id-2-one;1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hexane-1,5-dione;3-(6-methoxy-3-pyridinyl)-6-[(3S)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]hexanoic acid;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3S)-2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]hexanoate;5-oxohexanoic acid?

The canonical SMILES for lithium;(4R)-4-benzyl-3-[4-(2-methyl-1,3-dioxolan-2-yl)butanoyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-1,3-oxazolidin-3-id-2-one;1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hexane-1,5-dione;3-(6-methoxy-3-pyridinyl)-6-[(3S)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]hexanoic acid;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3S)-2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]hexanoate;5-oxohexanoic acid is CC(=O)CCCC(=O)N1C(=O)OC[C@H]1Cc1ccccc1.CC(=O)CCCC(=O)O.CC1(CCCC(=O)N2C(=O)OC[C@H]2Cc2ccccc2)OCCO1.COC(=O)CC(CCCN1CC[C@H](CCc2ccc3c(n2)NCCC3)C1=O)c1ccc(OC)nc1.COc1ccc(C(CCCN2CC[C@H](CCc3ccc4c(n3)NCCC4)C2)CC(=O)O)cn1.O=C1[N-][C@H](Cc2ccccc2)CO1.[Li+].

What is the InChIKey of lithium;(4R)-4-benzyl-3-[4-(2-methyl-1,3-dioxolan-2-yl)butanoyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-1,3-oxazolidin-3-id-2-one;1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hexane-1,5-dione;3-(6-methoxy-3-pyridinyl)-6-[(3S)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]hexanoic acid;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3S)-2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]hexanoate;5-oxohexanoic acid?

The InChIKey is VRZTZDRYORPDAH-ZEZKXQKISA-M. The full InChI is InChI=1S/C27H36N4O4.C26H36N4O3.C18H23NO5.C16H19NO4.C10H11NO2.C6H10O3.Li/c1-34-24-12-9-22(18-29-24)21(17-25(32)35-2)6-4-15-31-16-13-20(27(31)33)8-11-23-10-7-19-5-3-14-28-26(19)30-23;1-33-24-11-8-22(17-28-24)21(16-25(31)32)5-3-14-30-15-12-19(18-30)6-9-23-10-7-20-4-2-13-27-26(20)29-23;1-18(23-10-11-24-18)9-5-8-16(20)19-15(13-22-17(19)21)12-14-6-3-2-4-7-14;1-12(18)6-5-9-15(19)17-14(11-21-16(17)20)10-13-7-3-2-4-8-13;12-10-11-9(7-13-10)6-8-4-2-1-3-5-8;1-5(7)3-2-4-6(8)9;/h7,9-10,12,18,20-21H,3-6,8,11,13-17H2,1-2H3,(H,28,30);7-8,10-11,17,19,21H,2-6,9,12-16,18H2,1H3,(H,27,29)(H,31,32);2-4,6-7,15H,5,8-13H2,1H3;2-4,7-8,14H,5-6,9-11H2,1H3;1-5,9H,6-7H2,(H,11,12);2-4H2,1H3,(H,8,9);/q;;;;;;+1/p-1/t20-,21?;19-,21?;15-;14-;9-;;/m00111../s1.

What are the key properties of lithium;(4R)-4-benzyl-3-[4-(2-methyl-1,3-dioxolan-2-yl)butanoyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-1,3-oxazolidin-3-id-2-one;1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hexane-1,5-dione;3-(6-methoxy-3-pyridinyl)-6-[(3S)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]hexanoic acid;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3S)-2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]hexanoate;5-oxohexanoic acid?

lithium;(4R)-4-benzyl-3-[4-(2-methyl-1,3-dioxolan-2-yl)butanoyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-1,3-oxazolidin-3-id-2-one;1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hexane-1,5-dione;3-(6-methoxy-3-pyridinyl)-6-[(3S)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]hexanoic acid;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3S)-2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]hexanoate;5-oxohexanoic acid has a molecular weight of 1869.20 g/mol, XLogP of 12.69, 40 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;(4R)-4-benzyl-3-[4-(2-methyl-1,3-dioxolan-2-yl)butanoyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-1,3-oxazolidin-3-id-2-one;1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hexane-1,5-dione;3-(6-methoxy-3-pyridinyl)-6-[(3S)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]hexanoic acid;methyl 3-(6-methoxy-3-pyridinyl)-6-[(3S)-2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]hexanoate;5-oxohexanoic acid is sourced from PubChem (CID 161383292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).