About 4-[(2-amino-4-methylpentanoyl)amino]-5-[[1-(1-carboxyethylamino)-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
4-[(2-amino-4-methylpentanoyl)amino]-5-[[1-(1-carboxyethylamino)-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid (PubChem CID 22704813) has the molecular formula C19H34N4O7
and a molecular weight of 430.50 g/mol. Its IUPAC name is 4-[(2-amino-4-methylpentanoyl)amino]-5-[[1-(1-carboxyethylamino)-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid.
Molecular Properties
| Compound Name | 4-[(2-amino-4-methylpentanoyl)amino]-5-[[1-(1-carboxyethylamino)-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid |
|---|
| PubChem CID | 22704813 |
|---|
| Molecular Formula | C19H34N4O7 |
|---|
| Molecular Weight | 430.50 g/mol |
|---|
| Exact Mass | 430.24 |
|---|
| IUPAC Name | 4-[(2-amino-4-methylpentanoyl)amino]-5-[[1-(1-carboxyethylamino)-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid |
|---|
| SMILES | CC(C)CC(N)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)NC(C)C(=O)O)C(C)C |
|---|
| InChI | InChI=1S/C19H34N4O7/c1-9(2)8-12(20)16(26)22-13(6-7-14(24)25)17(27)23-15(10(3)4)18(28)21-11(5)19(29)30/h9-13,15H,6-8,20H2,1-5H3,(H,21,28)(H,22,26)(H,23,27)(H,24,25)(H,29,30) |
|---|
| InChIKey | QQTZHCQLODNOLT-UHFFFAOYSA-N |
|---|
| XLogP | -0.56 |
|---|
| TPSA | 187.92 Ų |
|---|
| H-Bond Donors | 6 |
|---|
| H-Bond Acceptors | 6 |
|---|
| Rotatable Bonds | 13 |
|---|
| Heavy Atoms | 30 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 430.50 |
| LogP ≤ 5 | -0.56 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 6 |
Analyze 4-[(2-amino-4-methylpentanoyl)amino]-5-[[1-(1-carboxyethylamino)-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of 4-[(2-amino-4-methylpentanoyl)amino]-5-[[1-(1-carboxyethylamino)-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid?
The IUPAC name of 4-[(2-amino-4-methylpentanoyl)amino]-5-[[1-(1-carboxyethylamino)-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid (CID 22704813) is 4-[(2-amino-4-methylpentanoyl)amino]-5-[[1-(1-carboxyethylamino)-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 4-[(2-amino-4-methylpentanoyl)amino]-5-[[1-(1-carboxyethylamino)-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid?
The canonical SMILES for 4-[(2-amino-4-methylpentanoyl)amino]-5-[[1-(1-carboxyethylamino)-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid is CC(C)CC(N)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)NC(C)C(=O)O)C(C)C.
What is the InChIKey of 4-[(2-amino-4-methylpentanoyl)amino]-5-[[1-(1-carboxyethylamino)-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid?
The InChIKey is QQTZHCQLODNOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O7/c1-9(2)8-12(20)16(26)22-13(6-7-14(24)25)17(27)23-15(10(3)4)18(28)21-11(5)19(29)30/h9-13,15H,6-8,20H2,1-5H3,(H,21,28)(H,22,26)(H,23,27)(H,24,25)(H,29,30).
What are the key properties of 4-[(2-amino-4-methylpentanoyl)amino]-5-[[1-(1-carboxyethylamino)-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid?
4-[(2-amino-4-methylpentanoyl)amino]-5-[[1-(1-carboxyethylamino)-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid has a molecular weight of 430.50 g/mol, XLogP of -0.56, 13 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-4-methylpentanoyl)amino]-5-[[1-(1-carboxyethylamino)-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 22704813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).