About (2R)-2-amino-6-[bis[[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]imidazol-2-yl]methyl]amino]hexanoic acid
(2R)-2-amino-6-[bis[[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]imidazol-2-yl]methyl]amino]hexanoic acid (PubChem CID 71561780) has the molecular formula C26H42N6O6
and a molecular weight of 534.66 g/mol. Its IUPAC name is (2R)-2-amino-6-[bis[[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]imidazol-2-yl]methyl]amino]hexanoic acid.
Molecular Properties
| Compound Name | (2R)-2-amino-6-[bis[[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]imidazol-2-yl]methyl]amino]hexanoic acid |
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| PubChem CID | 71561780 |
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| Molecular Formula | C26H42N6O6 |
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| Molecular Weight | 534.66 g/mol |
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| Exact Mass | 534.32 |
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| IUPAC Name | (2R)-2-amino-6-[bis[[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]imidazol-2-yl]methyl]amino]hexanoic acid |
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| SMILES | CC(C)(C)OC(=O)Cn1ccnc1CN(CCCC[C@@H](N)C(=O)O)Cc1nccn1CC(=O)OC(C)(C)C |
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| InChI | InChI=1S/C26H42N6O6/c1-25(2,3)37-22(33)17-31-13-10-28-20(31)15-30(12-8-7-9-19(27)24(35)36)16-21-29-11-14-32(21)18-23(34)38-26(4,5)6/h10-11,13-14,19H,7-9,12,15-18,27H2,1-6H3,(H,35,36)/t19-/m1/s1 |
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| InChIKey | WPQJDODARUANOW-LJQANCHMSA-N |
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| XLogP | 2.35 |
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| TPSA | 154.80 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 11 |
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| Rotatable Bonds | 14 |
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| Heavy Atoms | 38 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 534.66 |
| LogP ≤ 5 | 2.35 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 11 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (2R)-2-amino-6-[bis[[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]imidazol-2-yl]methyl]amino]hexanoic acid?
The IUPAC name of (2R)-2-amino-6-[bis[[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]imidazol-2-yl]methyl]amino]hexanoic acid (CID 71561780) is (2R)-2-amino-6-[bis[[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]imidazol-2-yl]methyl]amino]hexanoic acid.
What is the SMILES notation for (2R)-2-amino-6-[bis[[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]imidazol-2-yl]methyl]amino]hexanoic acid?
The canonical SMILES for (2R)-2-amino-6-[bis[[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]imidazol-2-yl]methyl]amino]hexanoic acid is CC(C)(C)OC(=O)Cn1ccnc1CN(CCCC[C@@H](N)C(=O)O)Cc1nccn1CC(=O)OC(C)(C)C.
What is the InChIKey of (2R)-2-amino-6-[bis[[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]imidazol-2-yl]methyl]amino]hexanoic acid?
The InChIKey is WPQJDODARUANOW-LJQANCHMSA-N. The full InChI is InChI=1S/C26H42N6O6/c1-25(2,3)37-22(33)17-31-13-10-28-20(31)15-30(12-8-7-9-19(27)24(35)36)16-21-29-11-14-32(21)18-23(34)38-26(4,5)6/h10-11,13-14,19H,7-9,12,15-18,27H2,1-6H3,(H,35,36)/t19-/m1/s1.
What are the key properties of (2R)-2-amino-6-[bis[[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]imidazol-2-yl]methyl]amino]hexanoic acid?
(2R)-2-amino-6-[bis[[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]imidazol-2-yl]methyl]amino]hexanoic acid has a molecular weight of 534.66 g/mol, XLogP of 2.35, 14 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-6-[bis[[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]imidazol-2-yl]methyl]amino]hexanoic acid is sourced from PubChem (CID 71561780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).