2-[8-[5-[(2-methylpropan-2-yl)oxy-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinylidene]pentanoyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid

C23H38N4O8 — CID 173218913

About 2-[8-[5-[(2-methylpropan-2-yl)oxy-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinylidene]pentanoyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid

2-[8-[5-[(2-methylpropan-2-yl)oxy-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinylidene]pentanoyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid (PubChem CID 173218913) has the molecular formula C23H38N4O8 and a molecular weight of 498.58 g/mol. Its IUPAC name is 2-[8-[5-[(2-methylpropan-2-yl)oxy-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinylidene]pentanoyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[8-[5-[(2-methylpropan-2-yl)oxy-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinylidene]pentanoyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid
• PubChem CID: 173218913
• Molecular Formula: C23H38N4O8
• Molecular Weight: 498.58 g/mol
• Exact Mass: 498.27
• IUPAC Name: 2-[8-[5-[(2-methylpropan-2-yl)oxy-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinylidene]pentanoyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid
• SMILES: CC(C)(C)OC(=O)N(N=CCCCC(=O)N1CCC2(CC1)CN(CC(=O)O)C(=O)O2)OC(C)(C)C
• InChI: InChI=1S/C23H38N4O8/c1-21(2,3)33-20(32)27(35-22(4,5)6)24-12-8-7-9-17(28)25-13-10-23(11-14-25)16-26(15-18(29)30)19(31)34-23/h12H,7-11,13-16H2,1-6H3,(H,29,30)
• InChIKey: QWDNMERNBRDHNE-UHFFFAOYSA-N
• XLogP: 3.01
• TPSA: 138.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.58
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', '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-[5-[(2-methylpropan-2-yl)oxy-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinylidene]pentanoyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid?

The IUPAC name of 2-[8-[5-[(2-methylpropan-2-yl)oxy-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinylidene]pentanoyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid (CID 173218913) is 2-[8-[5-[(2-methylpropan-2-yl)oxy-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinylidene]pentanoyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid.

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

The canonical SMILES for 2-[8-[5-[(2-methylpropan-2-yl)oxy-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinylidene]pentanoyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid is CC(C)(C)OC(=O)N(N=CCCCC(=O)N1CCC2(CC1)CN(CC(=O)O)C(=O)O2)OC(C)(C)C.

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

The InChIKey is QWDNMERNBRDHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N4O8/c1-21(2,3)33-20(32)27(35-22(4,5)6)24-12-8-7-9-17(28)25-13-10-23(11-14-25)16-26(15-18(29)30)19(31)34-23/h12H,7-11,13-16H2,1-6H3,(H,29,30).

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

2-[8-[5-[(2-methylpropan-2-yl)oxy-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinylidene]pentanoyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid has a molecular weight of 498.58 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[8-[5-[(2-methylpropan-2-yl)oxy-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinylidene]pentanoyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid is sourced from PubChem (CID 173218913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).