About 2-[[2-[[(2S)-4-amino-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-oxobutanoyl]amino]acetyl]amino]acetic acid
2-[[2-[[(2S)-4-amino-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-oxobutanoyl]amino]acetyl]amino]acetic acid (PubChem CID 87173957) has the molecular formula C12H20N6O7
and a molecular weight of 360.33 g/mol. Its IUPAC name is 2-[[2-[[(2S)-4-amino-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-oxobutanoyl]amino]acetyl]amino]acetic acid.
Molecular Properties
| Compound Name | 2-[[2-[[(2S)-4-amino-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-oxobutanoyl]amino]acetyl]amino]acetic acid |
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| PubChem CID | 87173957 |
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| Molecular Formula | C12H20N6O7 |
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| Molecular Weight | 360.33 g/mol |
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| Exact Mass | 360.14 |
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| IUPAC Name | 2-[[2-[[(2S)-4-amino-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-oxobutanoyl]amino]acetyl]amino]acetic acid |
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| SMILES | NCC(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)O |
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| InChI | InChI=1S/C12H20N6O7/c13-2-8(20)15-4-10(22)18-6(1-7(14)19)12(25)17-3-9(21)16-5-11(23)24/h6H,1-5,13H2,(H2,14,19)(H,15,20)(H,16,21)(H,17,25)(H,18,22)(H,23,24)/t6-/m0/s1 |
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| InChIKey | SYVTUVYXOAYABR-LURJTMIESA-N |
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| XLogP | -5.26 |
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| TPSA | 222.81 Ų |
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| H-Bond Donors | 7 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 11 |
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| Heavy Atoms | 25 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 360.33 |
| LogP ≤ 5 | -5.26 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 7 |
Analyze 2-[[2-[[(2S)-4-amino-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-oxobutanoyl]amino]acetyl]amino]acetic acid with MolForge
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Frequently Asked Questions
What is the IUPAC name of 2-[[2-[[(2S)-4-amino-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-oxobutanoyl]amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[[(2S)-4-amino-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-oxobutanoyl]amino]acetyl]amino]acetic acid (CID 87173957) is 2-[[2-[[(2S)-4-amino-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-oxobutanoyl]amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[[(2S)-4-amino-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-oxobutanoyl]amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[[(2S)-4-amino-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-oxobutanoyl]amino]acetyl]amino]acetic acid is NCC(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-[[(2S)-4-amino-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-oxobutanoyl]amino]acetyl]amino]acetic acid?
The InChIKey is SYVTUVYXOAYABR-LURJTMIESA-N. The full InChI is InChI=1S/C12H20N6O7/c13-2-8(20)15-4-10(22)18-6(1-7(14)19)12(25)17-3-9(21)16-5-11(23)24/h6H,1-5,13H2,(H2,14,19)(H,15,20)(H,16,21)(H,17,25)(H,18,22)(H,23,24)/t6-/m0/s1.
What are the key properties of 2-[[2-[[(2S)-4-amino-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-oxobutanoyl]amino]acetyl]amino]acetic acid?
2-[[2-[[(2S)-4-amino-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-oxobutanoyl]amino]acetyl]amino]acetic acid has a molecular weight of 360.33 g/mol, XLogP of -5.26, 11 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[(2S)-4-amino-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-oxobutanoyl]amino]acetyl]amino]acetic acid is sourced from PubChem (CID 87173957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).