2-[methyl(phenyldiazenyl)amino]acetic acid

C9H11N3O2 — CID 23569712

IUPAC2-[methyl(phenyldiazenyl)amino]acetic acid
SMILESCN(CC(=O)O)/N=N/c1ccccc1
InChIInChI=1S/C9H11N3O2/c1-12(7-9(13)14)11-10-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,13,14)/b11-10+
InChIKeyGYQONHNWPASCRA-ZHACJKMWSA-N
MW193.21 g/mol
LogP1.70
Rot. Bonds4

About 2-[methyl(phenyldiazenyl)amino]acetic acid

2-[methyl(phenyldiazenyl)amino]acetic acid (PubChem CID 23569712) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-[methyl(phenyldiazenyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl(phenyldiazenyl)amino]acetic acid
PubChem CID23569712
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name2-[methyl(phenyldiazenyl)amino]acetic acid
SMILESCN(CC(=O)O)/N=N/c1ccccc1
InChIInChI=1S/C9H11N3O2/c1-12(7-9(13)14)11-10-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,13,14)/b11-10+
InChIKeyGYQONHNWPASCRA-ZHACJKMWSA-N
XLogP1.70
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(phenyldiazenyl)amino]acetic acid?
The IUPAC name of 2-[methyl(phenyldiazenyl)amino]acetic acid (CID 23569712) is 2-[methyl(phenyldiazenyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl(phenyldiazenyl)amino]acetic acid?
The canonical SMILES for 2-[methyl(phenyldiazenyl)amino]acetic acid is CN(CC(=O)O)/N=N/c1ccccc1.
What is the InChIKey of 2-[methyl(phenyldiazenyl)amino]acetic acid?
The InChIKey is GYQONHNWPASCRA-ZHACJKMWSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-12(7-9(13)14)11-10-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,13,14)/b11-10+.
What are the key properties of 2-[methyl(phenyldiazenyl)amino]acetic acid?
2-[methyl(phenyldiazenyl)amino]acetic acid has a molecular weight of 193.21 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(phenyldiazenyl)amino]acetic acid is sourced from PubChem (CID 23569712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).