2-[[2-[2-[2-[[2-[2-[2-[(4-amino-4-oxobutanoyl)amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]acetic acid

C18H32N4O10 — CID 123723639

About 2-[[2-[2-[2-[[2-[2-[2-[(4-amino-4-oxobutanoyl)amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]acetic acid

2-[[2-[2-[2-[[2-[2-[2-[(4-amino-4-oxobutanoyl)amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]acetic acid (PubChem CID 123723639) has the molecular formula C18H32N4O10 and a molecular weight of 464.47 g/mol. Its IUPAC name is 2-[[2-[2-[2-[[2-[2-[2-[(4-amino-4-oxobutanoyl)amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]acetic acid.

Molecular Properties

• Compound Name: 2-[[2-[2-[2-[[2-[2-[2-[(4-amino-4-oxobutanoyl)amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]acetic acid
• PubChem CID: 123723639
• Molecular Formula: C18H32N4O10
• Molecular Weight: 464.47 g/mol
• Exact Mass: 464.21
• IUPAC Name: 2-[[2-[2-[2-[[2-[2-[2-[(4-amino-4-oxobutanoyl)amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]acetic acid
• SMILES: NC(=O)CCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)NCC(=O)O
• InChI: InChI=1S/C18H32N4O10/c19-14(23)1-2-15(24)20-3-5-29-7-9-31-12-16(25)21-4-6-30-8-10-32-13-17(26)22-11-18(27)28/h1-13H2,(H2,19,23)(H,20,24)(H,21,25)(H,22,26)(H,27,28)
• InChIKey: DRIHAGXJVSWZFX-UHFFFAOYSA-N
• XLogP: -3.25
• TPSA: 204.61 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 21
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.47
LogP ≤ 5	-3.25
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-[2-[[2-[2-[2-[(4-amino-4-oxobutanoyl)amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]acetic acid?

The IUPAC name of 2-[[2-[2-[2-[[2-[2-[2-[(4-amino-4-oxobutanoyl)amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]acetic acid (CID 123723639) is 2-[[2-[2-[2-[[2-[2-[2-[(4-amino-4-oxobutanoyl)amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]acetic acid.

What is the SMILES notation for 2-[[2-[2-[2-[[2-[2-[2-[(4-amino-4-oxobutanoyl)amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]acetic acid?

The canonical SMILES for 2-[[2-[2-[2-[[2-[2-[2-[(4-amino-4-oxobutanoyl)amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]acetic acid is NC(=O)CCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)NCC(=O)O.

What is the InChIKey of 2-[[2-[2-[2-[[2-[2-[2-[(4-amino-4-oxobutanoyl)amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]acetic acid?

The InChIKey is DRIHAGXJVSWZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O10/c19-14(23)1-2-15(24)20-3-5-29-7-9-31-12-16(25)21-4-6-30-8-10-32-13-17(26)22-11-18(27)28/h1-13H2,(H2,19,23)(H,20,24)(H,21,25)(H,22,26)(H,27,28).

What are the key properties of 2-[[2-[2-[2-[[2-[2-[2-[(4-amino-4-oxobutanoyl)amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]acetic acid?

2-[[2-[2-[2-[[2-[2-[2-[(4-amino-4-oxobutanoyl)amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]acetic acid has a molecular weight of 464.47 g/mol, XLogP of -3.25, 21 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[2-[2-[[2-[2-[2-[(4-amino-4-oxobutanoyl)amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]acetic acid is sourced from PubChem (CID 123723639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).