2-acetamido-2-[4-hydroxy-1-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butanoyl]piperidin-4-yl]acetic acid;bis(2-acetamido-2-[4-hydroxy-1-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]piperidin-4-yl]acetic acid);(2S)-2-acetamido-2-[4-hydroxy-1-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]piperidin-4-yl]acetic acid;3-hydroxy-3-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]azetidine-1-carboxamide;2-[3-hydroxy-1-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-3-yl]acetic acid

C130H187N19O25 — CID 157287069

About 2-acetamido-2-[4-hydroxy-1-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butanoyl]piperidin-4-yl]acetic acid;bis(2-acetamido-2-[4-hydroxy-1-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]piperidin-4-yl]acetic acid);(2S)-2-acetamido-2-[4-hydroxy-1-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]piperidin-4-yl]acetic acid;3-hydroxy-3-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]azetidine-1-carboxamide;2-[3-hydroxy-1-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-3-yl]acetic acid

2-acetamido-2-[4-hydroxy-1-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butanoyl]piperidin-4-yl]acetic acid;bis(2-acetamido-2-[4-hydroxy-1-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]piperidin-4-yl]acetic acid);(2S)-2-acetamido-2-[4-hydroxy-1-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]piperidin-4-yl]acetic acid;3-hydroxy-3-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]azetidine-1-carboxamide;2-[3-hydroxy-1-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-3-yl]acetic acid (PubChem CID 157287069) has the molecular formula C130H187N19O25 and a molecular weight of 2416.03 g/mol. Its IUPAC name is 2-acetamido-2-[4-hydroxy-1-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butanoyl]piperidin-4-yl]acetic acid;bis(2-acetamido-2-[4-hydroxy-1-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]piperidin-4-yl]acetic acid);(2S)-2-acetamido-2-[4-hydroxy-1-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]piperidin-4-yl]acetic acid;3-hydroxy-3-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]azetidine-1-carboxamide;2-[3-hydroxy-1-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-3-yl]acetic acid.

Molecular Properties

• Compound Name: 2-acetamido-2-[4-hydroxy-1-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butanoyl]piperidin-4-yl]acetic acid;bis(2-acetamido-2-[4-hydroxy-1-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]piperidin-4-yl]acetic acid);(2S)-2-acetamido-2-[4-hydroxy-1-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]piperidin-4-yl]acetic acid;3-hydroxy-3-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]azetidine-1-carboxamide;2-[3-hydroxy-1-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-3-yl]acetic acid
• PubChem CID: 157287069
• Molecular Formula: C130H187N19O25
• Molecular Weight: 2416.03 g/mol
• Exact Mass: 2414.39
• IUPAC Name: 2-acetamido-2-[4-hydroxy-1-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butanoyl]piperidin-4-yl]acetic acid;bis(2-acetamido-2-[4-hydroxy-1-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]piperidin-4-yl]acetic acid);(2S)-2-acetamido-2-[4-hydroxy-1-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]piperidin-4-yl]acetic acid;3-hydroxy-3-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]azetidine-1-carboxamide;2-[3-hydroxy-1-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-3-yl]acetic acid
• SMILES: CC(=O)CC1(O)CN(C(=O)NCCCc2ccc3c(n2)CCCC3)C1.CC(=O)NC(C(=O)O)C1(O)CCN(C(=O)CCCc2ccc3c(n2)CCCC3)CC1.CC(=O)NC(C(=O)O)C1(O)CCN(CCCCc2ccc3c(n2)CCCC3)CC1.CC(=O)NC(C(=O)O)C1(O)CCN(CCCCc2ccc3c(n2)CCCC3)CC1.CC(=O)N[C@H](C(=O)O)C1(O)CCN(C(=O)N2CCC(c3ccc4c(n3)CCCC4)CC2)CC1.O=C(O)CC1(O)CN(C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1
• InChI: InChI=1S/C24H34N4O5.C22H31N3O5.2C22H33N3O4.C21H29N3O4.C19H27N3O3/c1-16(29)25-21(22(30)31)24(33)10-14-28(15-11-24)23(32)27-12-8-18(9-13-27)20-7-6-17-4-2-3-5-19(17)26-20;1-15(26)23-20(21(28)29)22(30)11-13-25(14-12-22)19(27)8-4-6-17-10-9-16-5-2-3-7-18(16)24-17;2*1-16(26)23-20(21(27)28)22(29)11-14-25(15-12-22)13-5-4-7-18-10-9-17-6-2-3-8-19(17)24-18;25-19(26)12-21(28)13-24(14-21)20(27)23-9-7-15(8-10-23)11-17-6-5-16-3-1-2-4-18(16)22-17;1-14(23)11-19(25)12-22(13-19)18(24)20-10-4-6-16-9-8-15-5-2-3-7-17(15)21-16/h6-7,18,21,33H,2-5,8-15H2,1H3,(H,25,29)(H,30,31);9-10,20,30H,2-8,11-14H2,1H3,(H,23,26)(H,28,29);2*9-10,20,29H,2-8,11-15H2,1H3,(H,23,26)(H,27,28);5-6,15,28H,1-4,7-14H2,(H,25,26);8-9,25H,2-7,10-13H2,1H3,(H,20,24)/t21-;;;;;/m1...../s1
• InChIKey: BAIYILYXYRCEKS-RPDSBUJNSA-N
• XLogP: 9.79
• TPSA: 624.92 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 28
• Rotatable Bonds: 37
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2416.03
LogP ≤ 5	9.79
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-2-[4-hydroxy-1-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butanoyl]piperidin-4-yl]acetic acid;bis(2-acetamido-2-[4-hydroxy-1-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]piperidin-4-yl]acetic acid);(2S)-2-acetamido-2-[4-hydroxy-1-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]piperidin-4-yl]acetic acid;3-hydroxy-3-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]azetidine-1-carboxamide;2-[3-hydroxy-1-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-3-yl]acetic acid?

The IUPAC name of 2-acetamido-2-[4-hydroxy-1-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butanoyl]piperidin-4-yl]acetic acid;bis(2-acetamido-2-[4-hydroxy-1-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]piperidin-4-yl]acetic acid);(2S)-2-acetamido-2-[4-hydroxy-1-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]piperidin-4-yl]acetic acid;3-hydroxy-3-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]azetidine-1-carboxamide;2-[3-hydroxy-1-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-3-yl]acetic acid (CID 157287069) is 2-acetamido-2-[4-hydroxy-1-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butanoyl]piperidin-4-yl]acetic acid;bis(2-acetamido-2-[4-hydroxy-1-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]piperidin-4-yl]acetic acid);(2S)-2-acetamido-2-[4-hydroxy-1-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]piperidin-4-yl]acetic acid;3-hydroxy-3-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]azetidine-1-carboxamide;2-[3-hydroxy-1-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-3-yl]acetic acid.

What is the SMILES notation for 2-acetamido-2-[4-hydroxy-1-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butanoyl]piperidin-4-yl]acetic acid;bis(2-acetamido-2-[4-hydroxy-1-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]piperidin-4-yl]acetic acid);(2S)-2-acetamido-2-[4-hydroxy-1-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]piperidin-4-yl]acetic acid;3-hydroxy-3-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]azetidine-1-carboxamide;2-[3-hydroxy-1-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-3-yl]acetic acid?

The canonical SMILES for 2-acetamido-2-[4-hydroxy-1-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butanoyl]piperidin-4-yl]acetic acid;bis(2-acetamido-2-[4-hydroxy-1-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]piperidin-4-yl]acetic acid);(2S)-2-acetamido-2-[4-hydroxy-1-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]piperidin-4-yl]acetic acid;3-hydroxy-3-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]azetidine-1-carboxamide;2-[3-hydroxy-1-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-3-yl]acetic acid is CC(=O)CC1(O)CN(C(=O)NCCCc2ccc3c(n2)CCCC3)C1.CC(=O)NC(C(=O)O)C1(O)CCN(C(=O)CCCc2ccc3c(n2)CCCC3)CC1.CC(=O)NC(C(=O)O)C1(O)CCN(CCCCc2ccc3c(n2)CCCC3)CC1.CC(=O)NC(C(=O)O)C1(O)CCN(CCCCc2ccc3c(n2)CCCC3)CC1.CC(=O)N[C@H](C(=O)O)C1(O)CCN(C(=O)N2CCC(c3ccc4c(n3)CCCC4)CC2)CC1.O=C(O)CC1(O)CN(C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1.

What is the InChIKey of 2-acetamido-2-[4-hydroxy-1-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butanoyl]piperidin-4-yl]acetic acid;bis(2-acetamido-2-[4-hydroxy-1-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]piperidin-4-yl]acetic acid);(2S)-2-acetamido-2-[4-hydroxy-1-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]piperidin-4-yl]acetic acid;3-hydroxy-3-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]azetidine-1-carboxamide;2-[3-hydroxy-1-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-3-yl]acetic acid?

The InChIKey is BAIYILYXYRCEKS-RPDSBUJNSA-N. The full InChI is InChI=1S/C24H34N4O5.C22H31N3O5.2C22H33N3O4.C21H29N3O4.C19H27N3O3/c1-16(29)25-21(22(30)31)24(33)10-14-28(15-11-24)23(32)27-12-8-18(9-13-27)20-7-6-17-4-2-3-5-19(17)26-20;1-15(26)23-20(21(28)29)22(30)11-13-25(14-12-22)19(27)8-4-6-17-10-9-16-5-2-3-7-18(16)24-17;2*1-16(26)23-20(21(27)28)22(29)11-14-25(15-12-22)13-5-4-7-18-10-9-17-6-2-3-8-19(17)24-18;25-19(26)12-21(28)13-24(14-21)20(27)23-9-7-15(8-10-23)11-17-6-5-16-3-1-2-4-18(16)22-17;1-14(23)11-19(25)12-22(13-19)18(24)20-10-4-6-16-9-8-15-5-2-3-7-17(15)21-16/h6-7,18,21,33H,2-5,8-15H2,1H3,(H,25,29)(H,30,31);9-10,20,30H,2-8,11-14H2,1H3,(H,23,26)(H,28,29);2*9-10,20,29H,2-8,11-15H2,1H3,(H,23,26)(H,27,28);5-6,15,28H,1-4,7-14H2,(H,25,26);8-9,25H,2-7,10-13H2,1H3,(H,20,24)/t21-;;;;;/m1...../s1.

What are the key properties of 2-acetamido-2-[4-hydroxy-1-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butanoyl]piperidin-4-yl]acetic acid;bis(2-acetamido-2-[4-hydroxy-1-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]piperidin-4-yl]acetic acid);(2S)-2-acetamido-2-[4-hydroxy-1-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]piperidin-4-yl]acetic acid;3-hydroxy-3-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]azetidine-1-carboxamide;2-[3-hydroxy-1-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-3-yl]acetic acid?

2-acetamido-2-[4-hydroxy-1-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butanoyl]piperidin-4-yl]acetic acid;bis(2-acetamido-2-[4-hydroxy-1-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]piperidin-4-yl]acetic acid);(2S)-2-acetamido-2-[4-hydroxy-1-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]piperidin-4-yl]acetic acid;3-hydroxy-3-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]azetidine-1-carboxamide;2-[3-hydroxy-1-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-3-yl]acetic acid has a molecular weight of 2416.03 g/mol, XLogP of 9.79, 37 rotatable bonds, 16 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-acetamido-2-[4-hydroxy-1-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butanoyl]piperidin-4-yl]acetic acid;bis(2-acetamido-2-[4-hydroxy-1-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]piperidin-4-yl]acetic acid);(2S)-2-acetamido-2-[4-hydroxy-1-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]piperidin-4-yl]acetic acid;3-hydroxy-3-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]azetidine-1-carboxamide;2-[3-hydroxy-1-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 157287069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).