About 2-amino-N-[[[2-[[2-[(2-aminoacetyl)-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]acetyl]-[2-oxo-2-(2-oxopropylamino)ethyl]amino]methyl]acetamide
2-amino-N-[[[2-[[2-[(2-aminoacetyl)-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]acetyl]-[2-oxo-2-(2-oxopropylamino)ethyl]amino]methyl]acetamide (PubChem CID 59082679) has the molecular formula C17H30N8O7
and a molecular weight of 458.48 g/mol. Its IUPAC name is 2-amino-N-[[[2-[[2-[(2-aminoacetyl)-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]acetyl]-[2-oxo-2-(2-oxopropylamino)ethyl]amino]methyl]acetamide.
Molecular Properties
| Compound Name | 2-amino-N-[[[2-[[2-[(2-aminoacetyl)-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]acetyl]-[2-oxo-2-(2-oxopropylamino)ethyl]amino]methyl]acetamide |
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| PubChem CID | 59082679 |
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| Molecular Formula | C17H30N8O7 |
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| Molecular Weight | 458.48 g/mol |
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| Exact Mass | 458.22 |
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| IUPAC Name | 2-amino-N-[[[2-[[2-[(2-aminoacetyl)-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]acetyl]-[2-oxo-2-(2-oxopropylamino)ethyl]amino]methyl]acetamide |
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| SMILES | CNC(=O)CN(CC(=O)NCC(=O)N(CNC(=O)CN)CC(=O)NCC(C)=O)C(=O)CN |
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| InChI | InChI=1S/C17H30N8O7/c1-11(26)5-21-15(30)9-25(10-23-12(27)3-18)17(32)6-22-14(29)8-24(16(31)4-19)7-13(28)20-2/h3-10,18-19H2,1-2H3,(H,20,28)(H,21,30)(H,22,29)(H,23,27) |
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| InChIKey | PFVMMZKPRLQVKZ-UHFFFAOYSA-N |
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| XLogP | -5.80 |
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| TPSA | 226.13 Ų |
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| H-Bond Donors | 6 |
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| H-Bond Acceptors | 9 |
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| Rotatable Bonds | 14 |
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| Heavy Atoms | 32 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 458.48 |
| LogP ≤ 5 | -5.80 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 9 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'} |
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Analyze 2-amino-N-[[[2-[[2-[(2-aminoacetyl)-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]acetyl]-[2-oxo-2-(2-oxopropylamino)ethyl]amino]methyl]acetamide with MolForge
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Frequently Asked Questions
What is the IUPAC name of 2-amino-N-[[[2-[[2-[(2-aminoacetyl)-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]acetyl]-[2-oxo-2-(2-oxopropylamino)ethyl]amino]methyl]acetamide?
The IUPAC name of 2-amino-N-[[[2-[[2-[(2-aminoacetyl)-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]acetyl]-[2-oxo-2-(2-oxopropylamino)ethyl]amino]methyl]acetamide (CID 59082679) is 2-amino-N-[[[2-[[2-[(2-aminoacetyl)-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]acetyl]-[2-oxo-2-(2-oxopropylamino)ethyl]amino]methyl]acetamide.
What is the SMILES notation for 2-amino-N-[[[2-[[2-[(2-aminoacetyl)-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]acetyl]-[2-oxo-2-(2-oxopropylamino)ethyl]amino]methyl]acetamide?
The canonical SMILES for 2-amino-N-[[[2-[[2-[(2-aminoacetyl)-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]acetyl]-[2-oxo-2-(2-oxopropylamino)ethyl]amino]methyl]acetamide is CNC(=O)CN(CC(=O)NCC(=O)N(CNC(=O)CN)CC(=O)NCC(C)=O)C(=O)CN.
What is the InChIKey of 2-amino-N-[[[2-[[2-[(2-aminoacetyl)-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]acetyl]-[2-oxo-2-(2-oxopropylamino)ethyl]amino]methyl]acetamide?
The InChIKey is PFVMMZKPRLQVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N8O7/c1-11(26)5-21-15(30)9-25(10-23-12(27)3-18)17(32)6-22-14(29)8-24(16(31)4-19)7-13(28)20-2/h3-10,18-19H2,1-2H3,(H,20,28)(H,21,30)(H,22,29)(H,23,27).
What are the key properties of 2-amino-N-[[[2-[[2-[(2-aminoacetyl)-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]acetyl]-[2-oxo-2-(2-oxopropylamino)ethyl]amino]methyl]acetamide?
2-amino-N-[[[2-[[2-[(2-aminoacetyl)-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]acetyl]-[2-oxo-2-(2-oxopropylamino)ethyl]amino]methyl]acetamide has a molecular weight of 458.48 g/mol, XLogP of -5.80, 14 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[[2-[[2-[(2-aminoacetyl)-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]acetyl]-[2-oxo-2-(2-oxopropylamino)ethyl]amino]methyl]acetamide is sourced from PubChem (CID 59082679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).