2-[2-[(2-amino-2-oxoethyl)-[2-[[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]amino]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetic acid

C28H53N5O10 — CID 150394272

About 2-[2-[(2-amino-2-oxoethyl)-[2-[[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]amino]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetic acid

2-[2-[(2-amino-2-oxoethyl)-[2-[[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]amino]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetic acid (PubChem CID 150394272) has the molecular formula C28H53N5O10 and a molecular weight of 619.76 g/mol. Its IUPAC name is 2-[2-[(2-amino-2-oxoethyl)-[2-[[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]amino]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetic acid.

Molecular Properties

• Compound Name: 2-[2-[(2-amino-2-oxoethyl)-[2-[[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]amino]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetic acid
• PubChem CID: 150394272
• Molecular Formula: C28H53N5O10
• Molecular Weight: 619.76 g/mol
• Exact Mass: 619.38
• IUPAC Name: 2-[2-[(2-amino-2-oxoethyl)-[2-[[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]amino]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetic acid
• SMILES: COCCN(CCOC)C(=O)CN(CCN(CCN(CC(=O)O)CC(=O)OC(C)(C)C)CC(N)=O)CC(=O)OC(C)(C)C
• InChI: InChI=1S/C28H53N5O10/c1-27(2,3)42-25(38)20-31(18-23(35)33(13-15-40-7)14-16-41-8)11-9-30(17-22(29)34)10-12-32(19-24(36)37)21-26(39)43-28(4,5)6/h9-21H2,1-8H3,(H2,29,34)(H,36,37)
• InChIKey: HCJAJRPRORMZKX-UHFFFAOYSA-N
• XLogP: -0.73
• TPSA: 181.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 22
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	619.76
LogP ≤ 5	-0.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-amino-2-oxoethyl)-[2-[[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]amino]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetic acid?

The IUPAC name of 2-[2-[(2-amino-2-oxoethyl)-[2-[[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]amino]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetic acid (CID 150394272) is 2-[2-[(2-amino-2-oxoethyl)-[2-[[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]amino]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetic acid.

What is the SMILES notation for 2-[2-[(2-amino-2-oxoethyl)-[2-[[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]amino]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetic acid?

The canonical SMILES for 2-[2-[(2-amino-2-oxoethyl)-[2-[[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]amino]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetic acid is COCCN(CCOC)C(=O)CN(CCN(CCN(CC(=O)O)CC(=O)OC(C)(C)C)CC(N)=O)CC(=O)OC(C)(C)C.

What is the InChIKey of 2-[2-[(2-amino-2-oxoethyl)-[2-[[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]amino]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetic acid?

The InChIKey is HCJAJRPRORMZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H53N5O10/c1-27(2,3)42-25(38)20-31(18-23(35)33(13-15-40-7)14-16-41-8)11-9-30(17-22(29)34)10-12-32(19-24(36)37)21-26(39)43-28(4,5)6/h9-21H2,1-8H3,(H2,29,34)(H,36,37).

What are the key properties of 2-[2-[(2-amino-2-oxoethyl)-[2-[[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]amino]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetic acid?

2-[2-[(2-amino-2-oxoethyl)-[2-[[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]amino]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetic acid has a molecular weight of 619.76 g/mol, XLogP of -0.73, 22 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(2-amino-2-oxoethyl)-[2-[[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]amino]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 150394272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).