About 2-[[2-[[2-[[2-(ethylamino)-2-oxoethyl]-[(propanoylamino)methyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-propanoylamino]acetic acid
2-[[2-[[2-[[2-(ethylamino)-2-oxoethyl]-[(propanoylamino)methyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-propanoylamino]acetic acid (PubChem CID 20671538) has the molecular formula C17H29N5O7
and a molecular weight of 415.45 g/mol. Its IUPAC name is 2-[[2-[[2-[[2-(ethylamino)-2-oxoethyl]-[(propanoylamino)methyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-propanoylamino]acetic acid.
Molecular Properties
| Compound Name | 2-[[2-[[2-[[2-(ethylamino)-2-oxoethyl]-[(propanoylamino)methyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-propanoylamino]acetic acid |
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| PubChem CID | 20671538 |
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| Molecular Formula | C17H29N5O7 |
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| Molecular Weight | 415.45 g/mol |
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| Exact Mass | 415.21 |
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| IUPAC Name | 2-[[2-[[2-[[2-(ethylamino)-2-oxoethyl]-[(propanoylamino)methyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-propanoylamino]acetic acid |
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| SMILES | CCNC(=O)CN(CNC(=O)CC)C(=O)CNC(=O)CN(CC(=O)O)C(=O)CC |
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| InChI | InChI=1S/C17H29N5O7/c1-4-12(23)20-11-22(9-13(24)18-6-3)16(27)7-19-14(25)8-21(10-17(28)29)15(26)5-2/h4-11H2,1-3H3,(H,18,24)(H,19,25)(H,20,23)(H,28,29) |
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| InChIKey | HSNLETLNULSNQD-UHFFFAOYSA-N |
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| XLogP | -2.13 |
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| TPSA | 165.22 Ų |
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| H-Bond Donors | 4 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 13 |
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| Heavy Atoms | 29 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 415.45 |
| LogP ≤ 5 | -2.13 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-[[2-[[2-[[2-(ethylamino)-2-oxoethyl]-[(propanoylamino)methyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-propanoylamino]acetic acid?
The IUPAC name of 2-[[2-[[2-[[2-(ethylamino)-2-oxoethyl]-[(propanoylamino)methyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-propanoylamino]acetic acid (CID 20671538) is 2-[[2-[[2-[[2-(ethylamino)-2-oxoethyl]-[(propanoylamino)methyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-propanoylamino]acetic acid.
What is the SMILES notation for 2-[[2-[[2-[[2-(ethylamino)-2-oxoethyl]-[(propanoylamino)methyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-propanoylamino]acetic acid?
The canonical SMILES for 2-[[2-[[2-[[2-(ethylamino)-2-oxoethyl]-[(propanoylamino)methyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-propanoylamino]acetic acid is CCNC(=O)CN(CNC(=O)CC)C(=O)CNC(=O)CN(CC(=O)O)C(=O)CC.
What is the InChIKey of 2-[[2-[[2-[[2-(ethylamino)-2-oxoethyl]-[(propanoylamino)methyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-propanoylamino]acetic acid?
The InChIKey is HSNLETLNULSNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O7/c1-4-12(23)20-11-22(9-13(24)18-6-3)16(27)7-19-14(25)8-21(10-17(28)29)15(26)5-2/h4-11H2,1-3H3,(H,18,24)(H,19,25)(H,20,23)(H,28,29).
What are the key properties of 2-[[2-[[2-[[2-(ethylamino)-2-oxoethyl]-[(propanoylamino)methyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-propanoylamino]acetic acid?
2-[[2-[[2-[[2-(ethylamino)-2-oxoethyl]-[(propanoylamino)methyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-propanoylamino]acetic acid has a molecular weight of 415.45 g/mol, XLogP of -2.13, 13 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-[[2-(ethylamino)-2-oxoethyl]-[(propanoylamino)methyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-propanoylamino]acetic acid is sourced from PubChem (CID 20671538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).