6-[4-[2-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxyphenyl]propan-2-yl]phenoxy]pyridine-2-carboxylic acid

C30H34N2O6 — CID 167437067

About 6-[4-[2-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxyphenyl]propan-2-yl]phenoxy]pyridine-2-carboxylic acid

6-[4-[2-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxyphenyl]propan-2-yl]phenoxy]pyridine-2-carboxylic acid (PubChem CID 167437067) has the molecular formula C30H34N2O6 and a molecular weight of 518.61 g/mol. Its IUPAC name is 6-[4-[2-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxyphenyl]propan-2-yl]phenoxy]pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 6-[4-[2-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxyphenyl]propan-2-yl]phenoxy]pyridine-2-carboxylic acid
• PubChem CID: 167437067
• Molecular Formula: C30H34N2O6
• Molecular Weight: 518.61 g/mol
• Exact Mass: 518.24
• IUPAC Name: 6-[4-[2-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxyphenyl]propan-2-yl]phenoxy]pyridine-2-carboxylic acid
• SMILES: CC(C)(C)OC(=O)NC1CC(Oc2ccc(C(C)(C)c3ccc(Oc4cccc(C(=O)O)n4)cc3)cc2)C1
• InChI: InChI=1S/C30H34N2O6/c1-29(2,3)38-28(35)31-21-17-24(18-21)36-22-13-9-19(10-14-22)30(4,5)20-11-15-23(16-12-20)37-26-8-6-7-25(32-26)27(33)34/h6-16,21,24H,17-18H2,1-5H3,(H,31,35)(H,33,34)
• InChIKey: SRTOLZRWXAWIPP-UHFFFAOYSA-N
• XLogP: 6.33
• TPSA: 106.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.61
LogP ≤ 5	6.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxyphenyl]propan-2-yl]phenoxy]pyridine-2-carboxylic acid?

The IUPAC name of 6-[4-[2-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxyphenyl]propan-2-yl]phenoxy]pyridine-2-carboxylic acid (CID 167437067) is 6-[4-[2-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxyphenyl]propan-2-yl]phenoxy]pyridine-2-carboxylic acid.

What is the SMILES notation for 6-[4-[2-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxyphenyl]propan-2-yl]phenoxy]pyridine-2-carboxylic acid?

The canonical SMILES for 6-[4-[2-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxyphenyl]propan-2-yl]phenoxy]pyridine-2-carboxylic acid is CC(C)(C)OC(=O)NC1CC(Oc2ccc(C(C)(C)c3ccc(Oc4cccc(C(=O)O)n4)cc3)cc2)C1.

What is the InChIKey of 6-[4-[2-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxyphenyl]propan-2-yl]phenoxy]pyridine-2-carboxylic acid?

The InChIKey is SRTOLZRWXAWIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O6/c1-29(2,3)38-28(35)31-21-17-24(18-21)36-22-13-9-19(10-14-22)30(4,5)20-11-15-23(16-12-20)37-26-8-6-7-25(32-26)27(33)34/h6-16,21,24H,17-18H2,1-5H3,(H,31,35)(H,33,34).

What are the key properties of 6-[4-[2-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxyphenyl]propan-2-yl]phenoxy]pyridine-2-carboxylic acid?

6-[4-[2-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxyphenyl]propan-2-yl]phenoxy]pyridine-2-carboxylic acid has a molecular weight of 518.61 g/mol, XLogP of 6.33, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[2-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxyphenyl]propan-2-yl]phenoxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 167437067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).