About 4-methyl-4-[[4-methyl-4-[[4-methyl-4-[(4-methyl-4-nitropentanoyl)amino]pentanoyl]amino]pentanoyl]amino]pentanoic acid
4-methyl-4-[[4-methyl-4-[[4-methyl-4-[(4-methyl-4-nitropentanoyl)amino]pentanoyl]amino]pentanoyl]amino]pentanoic acid (PubChem CID 11134881) has the molecular formula C24H44N4O7
and a molecular weight of 500.64 g/mol. Its IUPAC name is 4-methyl-4-[[4-methyl-4-[[4-methyl-4-[(4-methyl-4-nitropentanoyl)amino]pentanoyl]amino]pentanoyl]amino]pentanoic acid.
Molecular Properties
| Compound Name | 4-methyl-4-[[4-methyl-4-[[4-methyl-4-[(4-methyl-4-nitropentanoyl)amino]pentanoyl]amino]pentanoyl]amino]pentanoic acid |
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| PubChem CID | 11134881 |
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| Molecular Formula | C24H44N4O7 |
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| Molecular Weight | 500.64 g/mol |
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| Exact Mass | 500.32 |
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| IUPAC Name | 4-methyl-4-[[4-methyl-4-[[4-methyl-4-[(4-methyl-4-nitropentanoyl)amino]pentanoyl]amino]pentanoyl]amino]pentanoic acid |
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| SMILES | CC(C)(CCC(=O)O)NC(=O)CCC(C)(C)NC(=O)CCC(C)(C)NC(=O)CCC(C)(C)[N+](=O)[O-] |
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| InChI | InChI=1S/C24H44N4O7/c1-21(2,13-10-18(30)26-23(5,6)15-12-20(32)33)25-17(29)9-14-22(3,4)27-19(31)11-16-24(7,8)28(34)35/h9-16H2,1-8H3,(H,25,29)(H,26,30)(H,27,31)(H,32,33) |
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| InChIKey | MVXFGZXLTZEMBO-UHFFFAOYSA-N |
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| XLogP | 2.93 |
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| TPSA | 167.74 Ų |
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| H-Bond Donors | 4 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 16 |
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| Heavy Atoms | 35 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 500.64 |
| LogP ≤ 5 | 2.93 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 4-methyl-4-[[4-methyl-4-[[4-methyl-4-[(4-methyl-4-nitropentanoyl)amino]pentanoyl]amino]pentanoyl]amino]pentanoic acid?
The IUPAC name of 4-methyl-4-[[4-methyl-4-[[4-methyl-4-[(4-methyl-4-nitropentanoyl)amino]pentanoyl]amino]pentanoyl]amino]pentanoic acid (CID 11134881) is 4-methyl-4-[[4-methyl-4-[[4-methyl-4-[(4-methyl-4-nitropentanoyl)amino]pentanoyl]amino]pentanoyl]amino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[[4-methyl-4-[[4-methyl-4-[(4-methyl-4-nitropentanoyl)amino]pentanoyl]amino]pentanoyl]amino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[[4-methyl-4-[[4-methyl-4-[(4-methyl-4-nitropentanoyl)amino]pentanoyl]amino]pentanoyl]amino]pentanoic acid is CC(C)(CCC(=O)O)NC(=O)CCC(C)(C)NC(=O)CCC(C)(C)NC(=O)CCC(C)(C)[N+](=O)[O-].
What is the InChIKey of 4-methyl-4-[[4-methyl-4-[[4-methyl-4-[(4-methyl-4-nitropentanoyl)amino]pentanoyl]amino]pentanoyl]amino]pentanoic acid?
The InChIKey is MVXFGZXLTZEMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N4O7/c1-21(2,13-10-18(30)26-23(5,6)15-12-20(32)33)25-17(29)9-14-22(3,4)27-19(31)11-16-24(7,8)28(34)35/h9-16H2,1-8H3,(H,25,29)(H,26,30)(H,27,31)(H,32,33).
What are the key properties of 4-methyl-4-[[4-methyl-4-[[4-methyl-4-[(4-methyl-4-nitropentanoyl)amino]pentanoyl]amino]pentanoyl]amino]pentanoic acid?
4-methyl-4-[[4-methyl-4-[[4-methyl-4-[(4-methyl-4-nitropentanoyl)amino]pentanoyl]amino]pentanoyl]amino]pentanoic acid has a molecular weight of 500.64 g/mol, XLogP of 2.93, 16 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[[4-methyl-4-[[4-methyl-4-[(4-methyl-4-nitropentanoyl)amino]pentanoyl]amino]pentanoyl]amino]pentanoic acid is sourced from PubChem (CID 11134881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).