2-[[2-[[2-[[2-[[2-[[2-[[1-hydroxy-2-[[2-[methyl-[2-[methyl-[2-(methylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]-methylamino]acetyl]-methylamino]acetyl]amino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]acetic acid

C27H48N10O11 — CID 178096142

About 2-[[2-[[2-[[2-[[2-[[2-[[1-hydroxy-2-[[2-[methyl-[2-[methyl-[2-(methylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]-methylamino]acetyl]-methylamino]acetyl]amino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]acetic acid

2-[[2-[[2-[[2-[[2-[[2-[[1-hydroxy-2-[[2-[methyl-[2-[methyl-[2-(methylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]-methylamino]acetyl]-methylamino]acetyl]amino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]acetic acid (PubChem CID 178096142) has the molecular formula C27H48N10O11 and a molecular weight of 688.74 g/mol. Its IUPAC name is 2-[[2-[[2-[[2-[[2-[[2-[[1-hydroxy-2-[[2-[methyl-[2-[methyl-[2-(methylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]-methylamino]acetyl]-methylamino]acetyl]amino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]acetic acid.

Molecular Properties

• Compound Name: 2-[[2-[[2-[[2-[[2-[[2-[[1-hydroxy-2-[[2-[methyl-[2-[methyl-[2-(methylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]-methylamino]acetyl]-methylamino]acetyl]amino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]acetic acid
• PubChem CID: 178096142
• Molecular Formula: C27H48N10O11
• Molecular Weight: 688.74 g/mol
• Exact Mass: 688.35
• IUPAC Name: 2-[[2-[[2-[[2-[[2-[[2-[[1-hydroxy-2-[[2-[methyl-[2-[methyl-[2-(methylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]-methylamino]acetyl]-methylamino]acetyl]amino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]acetic acid
• SMILES: CNCC(=O)N(C)CC(=O)N(C)CC(=O)NCC(O)N(C)CC(=O)N(C)CC(=O)NCC(=O)N(C)CC(=O)N(C)CC(=O)NCC(=O)O
• InChI: InChI=1S/C27H48N10O11/c1-28-8-21(41)35(5)15-24(44)32(2)12-18(38)29-9-22(42)36(6)16-25(45)33(3)13-19(39)30-10-23(43)37(7)17-26(46)34(4)14-20(40)31-11-27(47)48/h22,28,42H,8-17H2,1-7H3,(H,29,38)(H,30,39)(H,31,40)(H,47,48)
• InChIKey: TXRLXGXUOMLJMR-UHFFFAOYSA-N
• XLogP: -6.82
• TPSA: 261.65 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 21
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	688.74
LogP ≤ 5	-6.82
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-[[2-[[2-[[2-[[1-hydroxy-2-[[2-[methyl-[2-[methyl-[2-(methylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]-methylamino]acetyl]-methylamino]acetyl]amino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]acetic acid?

The IUPAC name of 2-[[2-[[2-[[2-[[2-[[2-[[1-hydroxy-2-[[2-[methyl-[2-[methyl-[2-(methylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]-methylamino]acetyl]-methylamino]acetyl]amino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]acetic acid (CID 178096142) is 2-[[2-[[2-[[2-[[2-[[2-[[1-hydroxy-2-[[2-[methyl-[2-[methyl-[2-(methylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]-methylamino]acetyl]-methylamino]acetyl]amino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]acetic acid.

What is the SMILES notation for 2-[[2-[[2-[[2-[[2-[[2-[[1-hydroxy-2-[[2-[methyl-[2-[methyl-[2-(methylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]-methylamino]acetyl]-methylamino]acetyl]amino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]acetic acid?

The canonical SMILES for 2-[[2-[[2-[[2-[[2-[[2-[[1-hydroxy-2-[[2-[methyl-[2-[methyl-[2-(methylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]-methylamino]acetyl]-methylamino]acetyl]amino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]acetic acid is CNCC(=O)N(C)CC(=O)N(C)CC(=O)NCC(O)N(C)CC(=O)N(C)CC(=O)NCC(=O)N(C)CC(=O)N(C)CC(=O)NCC(=O)O.

What is the InChIKey of 2-[[2-[[2-[[2-[[2-[[2-[[1-hydroxy-2-[[2-[methyl-[2-[methyl-[2-(methylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]-methylamino]acetyl]-methylamino]acetyl]amino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]acetic acid?

The InChIKey is TXRLXGXUOMLJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H48N10O11/c1-28-8-21(41)35(5)15-24(44)32(2)12-18(38)29-9-22(42)36(6)16-25(45)33(3)13-19(39)30-10-23(43)37(7)17-26(46)34(4)14-20(40)31-11-27(47)48/h22,28,42H,8-17H2,1-7H3,(H,29,38)(H,30,39)(H,31,40)(H,47,48).

What are the key properties of 2-[[2-[[2-[[2-[[2-[[2-[[1-hydroxy-2-[[2-[methyl-[2-[methyl-[2-(methylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]-methylamino]acetyl]-methylamino]acetyl]amino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]acetic acid?

2-[[2-[[2-[[2-[[2-[[2-[[1-hydroxy-2-[[2-[methyl-[2-[methyl-[2-(methylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]-methylamino]acetyl]-methylamino]acetyl]amino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]acetic acid has a molecular weight of 688.74 g/mol, XLogP of -6.82, 21 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[[2-[[2-[[2-[[2-[[1-hydroxy-2-[[2-[methyl-[2-[methyl-[2-(methylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]-methylamino]acetyl]-methylamino]acetyl]amino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]acetic acid is sourced from PubChem (CID 178096142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).