About 2-[[(1S)-2-[bis(carboxymethyl)amino]cyclohexyl]-[[5-(propan-2-yloxymethyl)-2-pyridinyl]methyl]amino]acetic acid;manganese(2+)
2-[[(1S)-2-[bis(carboxymethyl)amino]cyclohexyl]-[[5-(propan-2-yloxymethyl)-2-pyridinyl]methyl]amino]acetic acid;manganese(2+) (PubChem CID 155766823) has the molecular formula C22H33MnN3O7+2
and a molecular weight of 506.46 g/mol. Its IUPAC name is 2-[[(1S)-2-[bis(carboxymethyl)amino]cyclohexyl]-[[5-(propan-2-yloxymethyl)-2-pyridinyl]methyl]amino]acetic acid;manganese(2+).
Molecular Properties
| Compound Name | 2-[[(1S)-2-[bis(carboxymethyl)amino]cyclohexyl]-[[5-(propan-2-yloxymethyl)-2-pyridinyl]methyl]amino]acetic acid;manganese(2+) |
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| PubChem CID | 155766823 |
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| Molecular Formula | C22H33MnN3O7+2 |
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| Molecular Weight | 506.46 g/mol |
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| Exact Mass | 506.17 |
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| IUPAC Name | 2-[[(1S)-2-[bis(carboxymethyl)amino]cyclohexyl]-[[5-(propan-2-yloxymethyl)-2-pyridinyl]methyl]amino]acetic acid;manganese(2+) |
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| SMILES | CC(C)OCc1ccc(CN(CC(=O)O)[C@H]2CCCCC2N(CC(=O)O)CC(=O)O)nc1.[Mn+2] |
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| InChI | InChI=1S/C22H33N3O7.Mn/c1-15(2)32-14-16-7-8-17(23-9-16)10-24(11-20(26)27)18-5-3-4-6-19(18)25(12-21(28)29)13-22(30)31;/h7-9,15,18-19H,3-6,10-14H2,1-2H3,(H,26,27)(H,28,29)(H,30,31);/q;+2/t18-,19?;/m0./s1 |
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| InChIKey | ZFZSYZLVHSELJO-HMEPSURWSA-N |
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| XLogP | 1.67 |
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| TPSA | 140.50 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 13 |
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| Heavy Atoms | 33 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 506.46 |
| LogP ≤ 5 | 1.67 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 7 |
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Frequently Asked Questions
What is the IUPAC name of 2-[[(1S)-2-[bis(carboxymethyl)amino]cyclohexyl]-[[5-(propan-2-yloxymethyl)-2-pyridinyl]methyl]amino]acetic acid;manganese(2+)?
The IUPAC name of 2-[[(1S)-2-[bis(carboxymethyl)amino]cyclohexyl]-[[5-(propan-2-yloxymethyl)-2-pyridinyl]methyl]amino]acetic acid;manganese(2+) (CID 155766823) is 2-[[(1S)-2-[bis(carboxymethyl)amino]cyclohexyl]-[[5-(propan-2-yloxymethyl)-2-pyridinyl]methyl]amino]acetic acid;manganese(2+).
What is the SMILES notation for 2-[[(1S)-2-[bis(carboxymethyl)amino]cyclohexyl]-[[5-(propan-2-yloxymethyl)-2-pyridinyl]methyl]amino]acetic acid;manganese(2+)?
The canonical SMILES for 2-[[(1S)-2-[bis(carboxymethyl)amino]cyclohexyl]-[[5-(propan-2-yloxymethyl)-2-pyridinyl]methyl]amino]acetic acid;manganese(2+) is CC(C)OCc1ccc(CN(CC(=O)O)[C@H]2CCCCC2N(CC(=O)O)CC(=O)O)nc1.[Mn+2].
What is the InChIKey of 2-[[(1S)-2-[bis(carboxymethyl)amino]cyclohexyl]-[[5-(propan-2-yloxymethyl)-2-pyridinyl]methyl]amino]acetic acid;manganese(2+)?
The InChIKey is ZFZSYZLVHSELJO-HMEPSURWSA-N. The full InChI is InChI=1S/C22H33N3O7.Mn/c1-15(2)32-14-16-7-8-17(23-9-16)10-24(11-20(26)27)18-5-3-4-6-19(18)25(12-21(28)29)13-22(30)31;/h7-9,15,18-19H,3-6,10-14H2,1-2H3,(H,26,27)(H,28,29)(H,30,31);/q;+2/t18-,19?;/m0./s1.
What are the key properties of 2-[[(1S)-2-[bis(carboxymethyl)amino]cyclohexyl]-[[5-(propan-2-yloxymethyl)-2-pyridinyl]methyl]amino]acetic acid;manganese(2+)?
2-[[(1S)-2-[bis(carboxymethyl)amino]cyclohexyl]-[[5-(propan-2-yloxymethyl)-2-pyridinyl]methyl]amino]acetic acid;manganese(2+) has a molecular weight of 506.46 g/mol, XLogP of 1.67, 13 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-2-[bis(carboxymethyl)amino]cyclohexyl]-[[5-(propan-2-yloxymethyl)-2-pyridinyl]methyl]amino]acetic acid;manganese(2+) is sourced from PubChem (CID 155766823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).