About (2S)-2-(methylamino)-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-3-oxobutan-2-yl]amino]propan-2-yl]amino]propan-2-yl]propanamide
(2S)-2-(methylamino)-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-3-oxobutan-2-yl]amino]propan-2-yl]amino]propan-2-yl]propanamide (PubChem CID 134864387) has the molecular formula C14H26N4O4
and a molecular weight of 314.39 g/mol. Its IUPAC name is (2S)-2-(methylamino)-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-3-oxobutan-2-yl]amino]propan-2-yl]amino]propan-2-yl]propanamide.
Molecular Properties
| Compound Name | (2S)-2-(methylamino)-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-3-oxobutan-2-yl]amino]propan-2-yl]amino]propan-2-yl]propanamide |
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| PubChem CID | 134864387 |
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| Molecular Formula | C14H26N4O4 |
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| Molecular Weight | 314.39 g/mol |
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| Exact Mass | 314.20 |
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| IUPAC Name | (2S)-2-(methylamino)-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-3-oxobutan-2-yl]amino]propan-2-yl]amino]propan-2-yl]propanamide |
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| SMILES | CN[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(C)=O |
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| InChI | InChI=1S/C14H26N4O4/c1-7(11(5)19)16-13(21)9(3)18-14(22)10(4)17-12(20)8(2)15-6/h7-10,15H,1-6H3,(H,16,21)(H,17,20)(H,18,22)/t7-,8-,9-,10-/m0/s1 |
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| InChIKey | TXLJBPTZRRAECB-XKNYDFJKSA-N |
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| XLogP | -1.30 |
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| TPSA | 116.40 Ų |
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| H-Bond Donors | 4 |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 22 |
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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 | 314.39 |
| LogP ≤ 5 | -1.30 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 5 |
Analyze (2S)-2-(methylamino)-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-3-oxobutan-2-yl]amino]propan-2-yl]amino]propan-2-yl]propanamide with MolForge
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Frequently Asked Questions
What is the IUPAC name of (2S)-2-(methylamino)-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-3-oxobutan-2-yl]amino]propan-2-yl]amino]propan-2-yl]propanamide?
The IUPAC name of (2S)-2-(methylamino)-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-3-oxobutan-2-yl]amino]propan-2-yl]amino]propan-2-yl]propanamide (CID 134864387) is (2S)-2-(methylamino)-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-3-oxobutan-2-yl]amino]propan-2-yl]amino]propan-2-yl]propanamide.
What is the SMILES notation for (2S)-2-(methylamino)-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-3-oxobutan-2-yl]amino]propan-2-yl]amino]propan-2-yl]propanamide?
The canonical SMILES for (2S)-2-(methylamino)-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-3-oxobutan-2-yl]amino]propan-2-yl]amino]propan-2-yl]propanamide is CN[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(C)=O.
What is the InChIKey of (2S)-2-(methylamino)-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-3-oxobutan-2-yl]amino]propan-2-yl]amino]propan-2-yl]propanamide?
The InChIKey is TXLJBPTZRRAECB-XKNYDFJKSA-N. The full InChI is InChI=1S/C14H26N4O4/c1-7(11(5)19)16-13(21)9(3)18-14(22)10(4)17-12(20)8(2)15-6/h7-10,15H,1-6H3,(H,16,21)(H,17,20)(H,18,22)/t7-,8-,9-,10-/m0/s1.
What are the key properties of (2S)-2-(methylamino)-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-3-oxobutan-2-yl]amino]propan-2-yl]amino]propan-2-yl]propanamide?
(2S)-2-(methylamino)-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-3-oxobutan-2-yl]amino]propan-2-yl]amino]propan-2-yl]propanamide has a molecular weight of 314.39 g/mol, XLogP of -1.30, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylamino)-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-3-oxobutan-2-yl]amino]propan-2-yl]amino]propan-2-yl]propanamide is sourced from PubChem (CID 134864387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).