About tetrasodium;(2S)-2-[bis(carboxylatomethyl)amino]pentanedioate
tetrasodium;(2S)-2-[bis(carboxylatomethyl)amino]pentanedioate (PubChem CID 44630158) has the molecular formula C9H9NNa4O8
and a molecular weight of 351.13 g/mol. Its IUPAC name is tetrasodium;(2S)-2-[bis(carboxylatomethyl)amino]pentanedioate.
Molecular Properties
| Compound Name | tetrasodium;(2S)-2-[bis(carboxylatomethyl)amino]pentanedioate |
|---|
| PubChem CID | 44630158 |
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| Molecular Formula | C9H9NNa4O8 |
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| Molecular Weight | 351.13 g/mol |
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| Exact Mass | 350.99 |
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| IUPAC Name | tetrasodium;(2S)-2-[bis(carboxylatomethyl)amino]pentanedioate |
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| SMILES | O=C([O-])CC[C@@H](C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Na+] |
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| InChI | InChI=1S/C9H13NO8.4Na/c11-6(12)2-1-5(9(17)18)10(3-7(13)14)4-8(15)16;;;;/h5H,1-4H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18);;;;/q;4*+1/p-4/t5-;;;;/m0..../s1 |
|---|
| InChIKey | UZVUJVFQFNHRSY-OUTKXMMCSA-J |
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| XLogP | -18.55 |
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| TPSA | 163.76 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 9 |
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| Rotatable Bonds | 9 |
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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 |
|---|
| MW ≤ 500 | 351.13 |
| LogP ≤ 5 | -18.55 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |
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Frequently Asked Questions
What is the IUPAC name of tetrasodium;(2S)-2-[bis(carboxylatomethyl)amino]pentanedioate?
The IUPAC name of tetrasodium;(2S)-2-[bis(carboxylatomethyl)amino]pentanedioate (CID 44630158) is tetrasodium;(2S)-2-[bis(carboxylatomethyl)amino]pentanedioate.
What is the SMILES notation for tetrasodium;(2S)-2-[bis(carboxylatomethyl)amino]pentanedioate?
The canonical SMILES for tetrasodium;(2S)-2-[bis(carboxylatomethyl)amino]pentanedioate is O=C([O-])CC[C@@H](C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of tetrasodium;(2S)-2-[bis(carboxylatomethyl)amino]pentanedioate?
The InChIKey is UZVUJVFQFNHRSY-OUTKXMMCSA-J. The full InChI is InChI=1S/C9H13NO8.4Na/c11-6(12)2-1-5(9(17)18)10(3-7(13)14)4-8(15)16;;;;/h5H,1-4H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18);;;;/q;4*+1/p-4/t5-;;;;/m0..../s1.
What are the key properties of tetrasodium;(2S)-2-[bis(carboxylatomethyl)amino]pentanedioate?
tetrasodium;(2S)-2-[bis(carboxylatomethyl)amino]pentanedioate has a molecular weight of 351.13 g/mol, XLogP of -18.55, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tetrasodium;(2S)-2-[bis(carboxylatomethyl)amino]pentanedioate is sourced from PubChem (CID 44630158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).