2-amino-3-hydroxypropanoic acid;2-[[4,7-bis(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-c]pyridine-6-carbonyl]amino]-3-hydroxypropanoic acid;(2,5-dioxopyrrolidin-1-yl) 2-[[4,7-bis(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-c]pyridine-6-carbonyl]amino]-3-hydroxypropanoate;(2,5-dioxopyrrolidin-1-yl) 4,7-bis(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-c]pyridine-6-carboxylate

C77H68N14O26 — CID 158507676

About 2-amino-3-hydroxypropanoic acid;2-[[4,7-bis(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-c]pyridine-6-carbonyl]amino]-3-hydroxypropanoic acid;(2,5-dioxopyrrolidin-1-yl) 2-[[4,7-bis(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-c]pyridine-6-carbonyl]amino]-3-hydroxypropanoate;(2,5-dioxopyrrolidin-1-yl) 4,7-bis(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-c]pyridine-6-carboxylate

2-amino-3-hydroxypropanoic acid;2-[[4,7-bis(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-c]pyridine-6-carbonyl]amino]-3-hydroxypropanoic acid;(2,5-dioxopyrrolidin-1-yl) 2-[[4,7-bis(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-c]pyridine-6-carbonyl]amino]-3-hydroxypropanoate;(2,5-dioxopyrrolidin-1-yl) 4,7-bis(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-c]pyridine-6-carboxylate (PubChem CID 158507676) has the molecular formula C77H68N14O26 and a molecular weight of 1605.46 g/mol. Its IUPAC name is 2-amino-3-hydroxypropanoic acid;2-[[4,7-bis(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-c]pyridine-6-carbonyl]amino]-3-hydroxypropanoic acid;(2,5-dioxopyrrolidin-1-yl) 2-[[4,7-bis(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-c]pyridine-6-carbonyl]amino]-3-hydroxypropanoate;(2,5-dioxopyrrolidin-1-yl) 4,7-bis(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-c]pyridine-6-carboxylate.

Molecular Properties

• Compound Name: 2-amino-3-hydroxypropanoic acid;2-[[4,7-bis(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-c]pyridine-6-carbonyl]amino]-3-hydroxypropanoic acid;(2,5-dioxopyrrolidin-1-yl) 2-[[4,7-bis(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-c]pyridine-6-carbonyl]amino]-3-hydroxypropanoate;(2,5-dioxopyrrolidin-1-yl) 4,7-bis(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-c]pyridine-6-carboxylate
• PubChem CID: 158507676
• Molecular Formula: C77H68N14O26
• Molecular Weight: 1605.46 g/mol
• Exact Mass: 1604.44
• IUPAC Name: 2-amino-3-hydroxypropanoic acid;2-[[4,7-bis(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-c]pyridine-6-carbonyl]amino]-3-hydroxypropanoic acid;(2,5-dioxopyrrolidin-1-yl) 2-[[4,7-bis(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-c]pyridine-6-carbonyl]amino]-3-hydroxypropanoate;(2,5-dioxopyrrolidin-1-yl) 4,7-bis(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-c]pyridine-6-carboxylate
• SMILES: COc1ccc(-c2nc(C(=O)NC(CO)C(=O)O)c(-c3ccc(OC)cc3)c3nonc23)cc1.COc1ccc(-c2nc(C(=O)NC(CO)C(=O)ON3C(=O)CCC3=O)c(-c3ccc(OC)cc3)c3nonc23)cc1.COc1ccc(-c2nc(C(=O)ON3C(=O)CCC3=O)c(-c3ccc(OC)cc3)c3nonc23)cc1.NC(CO)C(=O)O
• InChI: InChI=1S/C27H23N5O9.C24H18N4O7.C23H20N4O7.C3H7NO3/c1-38-16-7-3-14(4-8-16)21-23-25(31-41-30-23)22(15-5-9-17(39-2)10-6-15)29-24(21)26(36)28-18(13-33)27(37)40-32-19(34)11-12-20(32)35;1-32-15-7-3-13(4-8-15)19-21-23(27-35-26-21)20(14-5-9-16(33-2)10-6-14)25-22(19)24(31)34-28-17(29)11-12-18(28)30;1-32-14-7-3-12(4-8-14)17-19-21(27-34-26-19)18(13-5-9-15(33-2)10-6-13)25-20(17)22(29)24-16(11-28)23(30)31;4-2(1-5)3(6)7/h3-10,18,33H,11-13H2,1-2H3,(H,28,36);3-10H,11-12H2,1-2H3;3-10,16,28H,11H2,1-2H3,(H,24,29)(H,30,31);2,5H,1,4H2,(H,6,7)
• InChIKey: HKQQQUAFJOPPDM-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 557.68 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 34
• Rotatable Bonds: 25
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1605.46
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxypropanoic acid;2-[[4,7-bis(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-c]pyridine-6-carbonyl]amino]-3-hydroxypropanoic acid;(2,5-dioxopyrrolidin-1-yl) 2-[[4,7-bis(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-c]pyridine-6-carbonyl]amino]-3-hydroxypropanoate;(2,5-dioxopyrrolidin-1-yl) 4,7-bis(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-c]pyridine-6-carboxylate?

The IUPAC name of 2-amino-3-hydroxypropanoic acid;2-[[4,7-bis(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-c]pyridine-6-carbonyl]amino]-3-hydroxypropanoic acid;(2,5-dioxopyrrolidin-1-yl) 2-[[4,7-bis(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-c]pyridine-6-carbonyl]amino]-3-hydroxypropanoate;(2,5-dioxopyrrolidin-1-yl) 4,7-bis(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-c]pyridine-6-carboxylate (CID 158507676) is 2-amino-3-hydroxypropanoic acid;2-[[4,7-bis(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-c]pyridine-6-carbonyl]amino]-3-hydroxypropanoic acid;(2,5-dioxopyrrolidin-1-yl) 2-[[4,7-bis(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-c]pyridine-6-carbonyl]amino]-3-hydroxypropanoate;(2,5-dioxopyrrolidin-1-yl) 4,7-bis(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-c]pyridine-6-carboxylate.

What is the SMILES notation for 2-amino-3-hydroxypropanoic acid;2-[[4,7-bis(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-c]pyridine-6-carbonyl]amino]-3-hydroxypropanoic acid;(2,5-dioxopyrrolidin-1-yl) 2-[[4,7-bis(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-c]pyridine-6-carbonyl]amino]-3-hydroxypropanoate;(2,5-dioxopyrrolidin-1-yl) 4,7-bis(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-c]pyridine-6-carboxylate?

The canonical SMILES for 2-amino-3-hydroxypropanoic acid;2-[[4,7-bis(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-c]pyridine-6-carbonyl]amino]-3-hydroxypropanoic acid;(2,5-dioxopyrrolidin-1-yl) 2-[[4,7-bis(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-c]pyridine-6-carbonyl]amino]-3-hydroxypropanoate;(2,5-dioxopyrrolidin-1-yl) 4,7-bis(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-c]pyridine-6-carboxylate is COc1ccc(-c2nc(C(=O)NC(CO)C(=O)O)c(-c3ccc(OC)cc3)c3nonc23)cc1.COc1ccc(-c2nc(C(=O)NC(CO)C(=O)ON3C(=O)CCC3=O)c(-c3ccc(OC)cc3)c3nonc23)cc1.COc1ccc(-c2nc(C(=O)ON3C(=O)CCC3=O)c(-c3ccc(OC)cc3)c3nonc23)cc1.NC(CO)C(=O)O.

What is the InChIKey of 2-amino-3-hydroxypropanoic acid;2-[[4,7-bis(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-c]pyridine-6-carbonyl]amino]-3-hydroxypropanoic acid;(2,5-dioxopyrrolidin-1-yl) 2-[[4,7-bis(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-c]pyridine-6-carbonyl]amino]-3-hydroxypropanoate;(2,5-dioxopyrrolidin-1-yl) 4,7-bis(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-c]pyridine-6-carboxylate?

The InChIKey is HKQQQUAFJOPPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O9.C24H18N4O7.C23H20N4O7.C3H7NO3/c1-38-16-7-3-14(4-8-16)21-23-25(31-41-30-23)22(15-5-9-17(39-2)10-6-15)29-24(21)26(36)28-18(13-33)27(37)40-32-19(34)11-12-20(32)35;1-32-15-7-3-13(4-8-15)19-21-23(27-35-26-21)20(14-5-9-16(33-2)10-6-14)25-22(19)24(31)34-28-17(29)11-12-18(28)30;1-32-14-7-3-12(4-8-14)17-19-21(27-34-26-19)18(13-5-9-15(33-2)10-6-13)25-20(17)22(29)24-16(11-28)23(30)31;4-2(1-5)3(6)7/h3-10,18,33H,11-13H2,1-2H3,(H,28,36);3-10H,11-12H2,1-2H3;3-10,16,28H,11H2,1-2H3,(H,24,29)(H,30,31);2,5H,1,4H2,(H,6,7).

What are the key properties of 2-amino-3-hydroxypropanoic acid;2-[[4,7-bis(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-c]pyridine-6-carbonyl]amino]-3-hydroxypropanoic acid;(2,5-dioxopyrrolidin-1-yl) 2-[[4,7-bis(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-c]pyridine-6-carbonyl]amino]-3-hydroxypropanoate;(2,5-dioxopyrrolidin-1-yl) 4,7-bis(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-c]pyridine-6-carboxylate?

2-amino-3-hydroxypropanoic acid;2-[[4,7-bis(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-c]pyridine-6-carbonyl]amino]-3-hydroxypropanoic acid;(2,5-dioxopyrrolidin-1-yl) 2-[[4,7-bis(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-c]pyridine-6-carbonyl]amino]-3-hydroxypropanoate;(2,5-dioxopyrrolidin-1-yl) 4,7-bis(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-c]pyridine-6-carboxylate has a molecular weight of 1605.46 g/mol, XLogP of 5.39, 25 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-3-hydroxypropanoic acid;2-[[4,7-bis(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-c]pyridine-6-carbonyl]amino]-3-hydroxypropanoic acid;(2,5-dioxopyrrolidin-1-yl) 2-[[4,7-bis(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-c]pyridine-6-carbonyl]amino]-3-hydroxypropanoate;(2,5-dioxopyrrolidin-1-yl) 4,7-bis(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-c]pyridine-6-carboxylate is sourced from PubChem (CID 158507676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).