2-(2-azidoethoxymethyl)benzoic acid

C10H11N3O3 — CID 170346196

IUPAC2-(2-azidoethoxymethyl)benzoic acid
SMILES[N-]=[N+]=NCCOCc1ccccc1C(=O)O
InChIInChI=1S/C10H11N3O3/c11-13-12-5-6-16-7-8-3-1-2-4-9(8)10(14)15/h1-4H,5-7H2,(H,14,15)
InChIKeyURRJQIRIDGSRBJ-UHFFFAOYSA-N
MW221.22 g/mol
LogP2.21
Rot. Bonds6

About 2-(2-azidoethoxymethyl)benzoic acid

2-(2-azidoethoxymethyl)benzoic acid (PubChem CID 170346196) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 2-(2-azidoethoxymethyl)benzoic acid.

Molecular Properties

Compound Name2-(2-azidoethoxymethyl)benzoic acid
PubChem CID170346196
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name2-(2-azidoethoxymethyl)benzoic acid
SMILES[N-]=[N+]=NCCOCc1ccccc1C(=O)O
InChIInChI=1S/C10H11N3O3/c11-13-12-5-6-16-7-8-3-1-2-4-9(8)10(14)15/h1-4H,5-7H2,(H,14,15)
InChIKeyURRJQIRIDGSRBJ-UHFFFAOYSA-N
XLogP2.21
TPSA95.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(2-azidoethoxymethyl)benzoate
CID 170346138
2-azidoethoxymethylbenzene
CID 11116596
2-[2-(azidomethyl)phenyl]benzoic acid
CID 150569695
2-(2-cyclobutylethoxymethyl)benzoic acid
CID 106199375
2-[(3-methoxy-3-methylbutoxy)methyl]benzoic acid
CID 106664742
1-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanone
CID 167050498
3-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzoic acid
CID 70934822
N-[2-(2-azidoethoxy)ethyl]benzamide
CID 156666189
2-(dihydroxyphosphanyloxymethyl)benzoic acid
CID 145267379
2-(3-azidopropoxy)benzamide
CID 61396560
phthalic acid azide
CID 70600038
2-(azidomethyl)benzoyl chloride
CID 11171565

Frequently Asked Questions

What is the IUPAC name of 2-(2-azidoethoxymethyl)benzoic acid?
The IUPAC name of 2-(2-azidoethoxymethyl)benzoic acid (CID 170346196) is 2-(2-azidoethoxymethyl)benzoic acid.
What is the SMILES notation for 2-(2-azidoethoxymethyl)benzoic acid?
The canonical SMILES for 2-(2-azidoethoxymethyl)benzoic acid is [N-]=[N+]=NCCOCc1ccccc1C(=O)O.
What is the InChIKey of 2-(2-azidoethoxymethyl)benzoic acid?
The InChIKey is URRJQIRIDGSRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c11-13-12-5-6-16-7-8-3-1-2-4-9(8)10(14)15/h1-4H,5-7H2,(H,14,15).
What are the key properties of 2-(2-azidoethoxymethyl)benzoic acid?
2-(2-azidoethoxymethyl)benzoic acid has a molecular weight of 221.22 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azidoethoxymethyl)benzoic acid is sourced from PubChem (CID 170346196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).