acetic acid;O-[2-(2-aminooxyethoxy)ethyl]hydroxylamine;2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid

C26H52N4O21 — CID 173046052

About acetic acid;O-[2-(2-aminooxyethoxy)ethyl]hydroxylamine;2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid

acetic acid;O-[2-(2-aminooxyethoxy)ethyl]hydroxylamine;2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid (PubChem CID 173046052) has the molecular formula C26H52N4O21 and a molecular weight of 756.71 g/mol. Its IUPAC name is acetic acid;O-[2-(2-aminooxyethoxy)ethyl]hydroxylamine;2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid.

Molecular Properties

• Compound Name: acetic acid;O-[2-(2-aminooxyethoxy)ethyl]hydroxylamine;2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid
• PubChem CID: 173046052
• Molecular Formula: C26H52N4O21
• Molecular Weight: 756.71 g/mol
• Exact Mass: 756.31
• IUPAC Name: acetic acid;O-[2-(2-aminooxyethoxy)ethyl]hydroxylamine;2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid
• SMILES: CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.NOCCOCCON.O=C(O)CN(CCOCCOCCN(CC(=O)O)CC(=O)O)CC(=O)O
• InChI: InChI=1S/C14H24N2O10.C4H12N2O3.4C2H4O2/c17-11(18)7-15(8-12(19)20)1-3-25-5-6-26-4-2-16(9-13(21)22)10-14(23)24;5-8-3-1-7-2-4-9-6;4*1-2(3)4/h1-10H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24);1-6H2;4*1H3,(H,3,4)
• InChIKey: VJNOLMSCBKMGJN-UHFFFAOYSA-N
• XLogP: -2.89
• TPSA: 403.07 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 17
• Rotatable Bonds: 23
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	756.71
LogP ≤ 5	-2.89
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of acetic acid;O-[2-(2-aminooxyethoxy)ethyl]hydroxylamine;2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid?

The IUPAC name of acetic acid;O-[2-(2-aminooxyethoxy)ethyl]hydroxylamine;2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid (CID 173046052) is acetic acid;O-[2-(2-aminooxyethoxy)ethyl]hydroxylamine;2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid.

What is the SMILES notation for acetic acid;O-[2-(2-aminooxyethoxy)ethyl]hydroxylamine;2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid?

The canonical SMILES for acetic acid;O-[2-(2-aminooxyethoxy)ethyl]hydroxylamine;2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid is CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.NOCCOCCON.O=C(O)CN(CCOCCOCCN(CC(=O)O)CC(=O)O)CC(=O)O.

What is the InChIKey of acetic acid;O-[2-(2-aminooxyethoxy)ethyl]hydroxylamine;2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid?

The InChIKey is VJNOLMSCBKMGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O10.C4H12N2O3.4C2H4O2/c17-11(18)7-15(8-12(19)20)1-3-25-5-6-26-4-2-16(9-13(21)22)10-14(23)24;5-8-3-1-7-2-4-9-6;4*1-2(3)4/h1-10H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24);1-6H2;4*1H3,(H,3,4).

What are the key properties of acetic acid;O-[2-(2-aminooxyethoxy)ethyl]hydroxylamine;2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid?

acetic acid;O-[2-(2-aminooxyethoxy)ethyl]hydroxylamine;2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid has a molecular weight of 756.71 g/mol, XLogP of -2.89, 23 rotatable bonds, 10 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for acetic acid;O-[2-(2-aminooxyethoxy)ethyl]hydroxylamine;2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid is sourced from PubChem (CID 173046052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).