benzenediazonium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid

C16H21N4O8+ — CID 22162631

IUPACbenzenediazonium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
SMILESN#[N+]c1ccccc1.O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O
InChIInChI=1S/C10H16N2O8.C6H5N2/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;7-8-6-4-2-1-3-5-6/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);1-5H/q;+1
InChIKeyFAHYZRGEOMUPEI-UHFFFAOYSA-N
MW397.36 g/mol
LogP0.10
Rot. Bonds11

About benzenediazonium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid

benzenediazonium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid (PubChem CID 22162631) has the molecular formula C16H21N4O8+ and a molecular weight of 397.36 g/mol. Its IUPAC name is benzenediazonium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid.

Molecular Properties

Compound Namebenzenediazonium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
PubChem CID22162631
Molecular FormulaC16H21N4O8+
Molecular Weight397.36 g/mol
Exact Mass397.14
IUPAC Namebenzenediazonium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
SMILESN#[N+]c1ccccc1.O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O
InChIInChI=1S/C10H16N2O8.C6H5N2/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;7-8-6-4-2-1-3-5-6/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);1-5H/q;+1
InChIKeyFAHYZRGEOMUPEI-UHFFFAOYSA-N
XLogP0.10
TPSA183.83 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.36
LogP ≤ 50.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzenediazonium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid?
The IUPAC name of benzenediazonium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid (CID 22162631) is benzenediazonium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid.
What is the SMILES notation for benzenediazonium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid?
The canonical SMILES for benzenediazonium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid is N#[N+]c1ccccc1.O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.
What is the InChIKey of benzenediazonium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid?
The InChIKey is FAHYZRGEOMUPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O8.C6H5N2/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;7-8-6-4-2-1-3-5-6/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);1-5H/q;+1.
What are the key properties of benzenediazonium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid?
benzenediazonium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid has a molecular weight of 397.36 g/mol, XLogP of 0.10, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzenediazonium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid is sourced from PubChem (CID 22162631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).