About 2-[[2-[2-[[2-[bis(carboxymethyl)amino]-2-oxoethyl]-(2-propanoyloxyethyl)amino]ethyl-(2-propanoyloxyethyl)amino]acetyl]-(carboxymethyl)amino]acetic acid
2-[[2-[2-[[2-[bis(carboxymethyl)amino]-2-oxoethyl]-(2-propanoyloxyethyl)amino]ethyl-(2-propanoyloxyethyl)amino]acetyl]-(carboxymethyl)amino]acetic acid (PubChem CID 10628938) has the molecular formula C24H38N4O14
and a molecular weight of 606.58 g/mol. Its IUPAC name is 2-[[2-[2-[[2-[bis(carboxymethyl)amino]-2-oxoethyl]-(2-propanoyloxyethyl)amino]ethyl-(2-propanoyloxyethyl)amino]acetyl]-(carboxymethyl)amino]acetic acid.
Molecular Properties
| Compound Name | 2-[[2-[2-[[2-[bis(carboxymethyl)amino]-2-oxoethyl]-(2-propanoyloxyethyl)amino]ethyl-(2-propanoyloxyethyl)amino]acetyl]-(carboxymethyl)amino]acetic acid |
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| PubChem CID | 10628938 |
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| Molecular Formula | C24H38N4O14 |
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| Molecular Weight | 606.58 g/mol |
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| Exact Mass | 606.24 |
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| IUPAC Name | 2-[[2-[2-[[2-[bis(carboxymethyl)amino]-2-oxoethyl]-(2-propanoyloxyethyl)amino]ethyl-(2-propanoyloxyethyl)amino]acetyl]-(carboxymethyl)amino]acetic acid |
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| SMILES | CCC(=O)OCCN(CCN(CCOC(=O)CC)CC(=O)N(CC(=O)O)CC(=O)O)CC(=O)N(CC(=O)O)CC(=O)O |
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| InChI | InChI=1S/C24H38N4O14/c1-3-23(39)41-9-7-25(11-17(29)27(13-19(31)32)14-20(33)34)5-6-26(8-10-42-24(40)4-2)12-18(30)28(15-21(35)36)16-22(37)38/h3-16H2,1-2H3,(H,31,32)(H,33,34)(H,35,36)(H,37,38) |
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| InChIKey | QOKXGGFZJAMAKX-UHFFFAOYSA-N |
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| XLogP | -2.51 |
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| TPSA | 248.90 Ų |
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| H-Bond Donors | 4 |
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| H-Bond Acceptors | 12 |
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| Rotatable Bonds | 23 |
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| Heavy Atoms | 42 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 606.58 |
| LogP ≤ 5 | -2.51 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 12 |
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Frequently Asked Questions
What is the IUPAC name of 2-[[2-[2-[[2-[bis(carboxymethyl)amino]-2-oxoethyl]-(2-propanoyloxyethyl)amino]ethyl-(2-propanoyloxyethyl)amino]acetyl]-(carboxymethyl)amino]acetic acid?
The IUPAC name of 2-[[2-[2-[[2-[bis(carboxymethyl)amino]-2-oxoethyl]-(2-propanoyloxyethyl)amino]ethyl-(2-propanoyloxyethyl)amino]acetyl]-(carboxymethyl)amino]acetic acid (CID 10628938) is 2-[[2-[2-[[2-[bis(carboxymethyl)amino]-2-oxoethyl]-(2-propanoyloxyethyl)amino]ethyl-(2-propanoyloxyethyl)amino]acetyl]-(carboxymethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-[2-[[2-[bis(carboxymethyl)amino]-2-oxoethyl]-(2-propanoyloxyethyl)amino]ethyl-(2-propanoyloxyethyl)amino]acetyl]-(carboxymethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-[2-[[2-[bis(carboxymethyl)amino]-2-oxoethyl]-(2-propanoyloxyethyl)amino]ethyl-(2-propanoyloxyethyl)amino]acetyl]-(carboxymethyl)amino]acetic acid is CCC(=O)OCCN(CCN(CCOC(=O)CC)CC(=O)N(CC(=O)O)CC(=O)O)CC(=O)N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[[2-[2-[[2-[bis(carboxymethyl)amino]-2-oxoethyl]-(2-propanoyloxyethyl)amino]ethyl-(2-propanoyloxyethyl)amino]acetyl]-(carboxymethyl)amino]acetic acid?
The InChIKey is QOKXGGFZJAMAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O14/c1-3-23(39)41-9-7-25(11-17(29)27(13-19(31)32)14-20(33)34)5-6-26(8-10-42-24(40)4-2)12-18(30)28(15-21(35)36)16-22(37)38/h3-16H2,1-2H3,(H,31,32)(H,33,34)(H,35,36)(H,37,38).
What are the key properties of 2-[[2-[2-[[2-[bis(carboxymethyl)amino]-2-oxoethyl]-(2-propanoyloxyethyl)amino]ethyl-(2-propanoyloxyethyl)amino]acetyl]-(carboxymethyl)amino]acetic acid?
2-[[2-[2-[[2-[bis(carboxymethyl)amino]-2-oxoethyl]-(2-propanoyloxyethyl)amino]ethyl-(2-propanoyloxyethyl)amino]acetyl]-(carboxymethyl)amino]acetic acid has a molecular weight of 606.58 g/mol, XLogP of -2.51, 23 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-[[2-[bis(carboxymethyl)amino]-2-oxoethyl]-(2-propanoyloxyethyl)amino]ethyl-(2-propanoyloxyethyl)amino]acetyl]-(carboxymethyl)amino]acetic acid is sourced from PubChem (CID 10628938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).