2-[8-[6-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]-6-oxohexanoyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid

C24H38N4O9 — CID 173242663

About 2-[8-[6-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]-6-oxohexanoyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid

2-[8-[6-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]-6-oxohexanoyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid (PubChem CID 173242663) has the molecular formula C24H38N4O9 and a molecular weight of 526.59 g/mol. Its IUPAC name is 2-[8-[6-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]-6-oxohexanoyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[8-[6-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]-6-oxohexanoyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid
• PubChem CID: 173242663
• Molecular Formula: C24H38N4O9
• Molecular Weight: 526.59 g/mol
• Exact Mass: 526.26
• IUPAC Name: 2-[8-[6-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]-6-oxohexanoyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid
• SMILES: CC(C)(C)OC(=O)NN=C(CCCC(=O)N1CCC2(CC1)CN(CC(=O)O)C(=O)O2)C(=O)OC(C)(C)C
• InChI: InChI=1S/C24H38N4O9/c1-22(2,3)35-19(32)16(25-26-20(33)36-23(4,5)6)8-7-9-17(29)27-12-10-24(11-13-27)15-28(14-18(30)31)21(34)37-24/h7-15H2,1-6H3,(H,26,33)(H,30,31)
• InChIKey: CIWLXUSXPFROSN-UHFFFAOYSA-N
• XLogP: 2.28
• TPSA: 164.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.59
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[8-[6-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]-6-oxohexanoyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid?

The IUPAC name of 2-[8-[6-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]-6-oxohexanoyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid (CID 173242663) is 2-[8-[6-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]-6-oxohexanoyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid.

What is the SMILES notation for 2-[8-[6-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]-6-oxohexanoyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid?

The canonical SMILES for 2-[8-[6-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]-6-oxohexanoyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid is CC(C)(C)OC(=O)NN=C(CCCC(=O)N1CCC2(CC1)CN(CC(=O)O)C(=O)O2)C(=O)OC(C)(C)C.

What is the InChIKey of 2-[8-[6-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]-6-oxohexanoyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid?

The InChIKey is CIWLXUSXPFROSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O9/c1-22(2,3)35-19(32)16(25-26-20(33)36-23(4,5)6)8-7-9-17(29)27-12-10-24(11-13-27)15-28(14-18(30)31)21(34)37-24/h7-15H2,1-6H3,(H,26,33)(H,30,31).

What are the key properties of 2-[8-[6-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]-6-oxohexanoyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid?

2-[8-[6-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]-6-oxohexanoyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid has a molecular weight of 526.59 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[8-[6-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]-6-oxohexanoyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid is sourced from PubChem (CID 173242663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).