4-amino-3-[(2-methyltetrazol-5-yl)methoxy]benzoic acid

C10H11N5O3 — CID 107044786

IUPAC4-amino-3-[(2-methyltetrazol-5-yl)methoxy]benzoic acid
SMILESCn1nnc(COc2cc(C(=O)O)ccc2N)n1
InChIInChI=1S/C10H11N5O3/c1-15-13-9(12-14-15)5-18-8-4-6(10(16)17)2-3-7(8)11/h2-4H,5,11H2,1H3,(H,16,17)
InChIKeySPJRTFJRHKRUPP-UHFFFAOYSA-N
MW249.23 g/mol
LogP0.07
Rot. Bonds4

About 4-amino-3-[(2-methyltetrazol-5-yl)methoxy]benzoic acid

4-amino-3-[(2-methyltetrazol-5-yl)methoxy]benzoic acid (PubChem CID 107044786) has the molecular formula C10H11N5O3 and a molecular weight of 249.23 g/mol. Its IUPAC name is 4-amino-3-[(2-methyltetrazol-5-yl)methoxy]benzoic acid.

Molecular Properties

Compound Name4-amino-3-[(2-methyltetrazol-5-yl)methoxy]benzoic acid
PubChem CID107044786
Molecular FormulaC10H11N5O3
Molecular Weight249.23 g/mol
Exact Mass249.09
IUPAC Name4-amino-3-[(2-methyltetrazol-5-yl)methoxy]benzoic acid
SMILESCn1nnc(COc2cc(C(=O)O)ccc2N)n1
InChIInChI=1S/C10H11N5O3/c1-15-13-9(12-14-15)5-18-8-4-6(10(16)17)2-3-7(8)11/h2-4H,5,11H2,1H3,(H,16,17)
InChIKeySPJRTFJRHKRUPP-UHFFFAOYSA-N
XLogP0.07
TPSA116.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-3-[(2-methyltetrazol-5-yl)methoxy]benzoic acid
CID 107040973
2-amino-6-[(2-methyltetrazol-5-yl)methoxy]benzoic acid
CID 107341596
(2-methyltetrazol-5-yl)methyl 3-amino-4-methoxybenzoate
CID 107052112
3-amino-4-[ethyl-[(2-methyltetrazol-5-yl)methyl]amino]benzoic acid
CID 107043710
1-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanone
CID 107043044
3-chloro-4-[(2-methyltetrazol-5-yl)methoxy]aniline
CID 107040843
5-[(2-methyltetrazol-5-yl)methoxy]pyridine-2-carboxylic acid
CID 107043205
4-amino-3-(carboxymethoxy)benzoic acid
CID 11310358
(2-methyltetrazol-5-yl)methyl 3-aminobenzoate
CID 107052103
2-[(2-methyltetrazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid
CID 107045032
4-amino-3-(3-amino-3-oxopropoxy)benzoic acid
CID 43379838
4-amino-3-[(3-methylphenyl)methoxy]benzoic acid
CID 43379889

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(2-methyltetrazol-5-yl)methoxy]benzoic acid?
The IUPAC name of 4-amino-3-[(2-methyltetrazol-5-yl)methoxy]benzoic acid (CID 107044786) is 4-amino-3-[(2-methyltetrazol-5-yl)methoxy]benzoic acid.
What is the SMILES notation for 4-amino-3-[(2-methyltetrazol-5-yl)methoxy]benzoic acid?
The canonical SMILES for 4-amino-3-[(2-methyltetrazol-5-yl)methoxy]benzoic acid is Cn1nnc(COc2cc(C(=O)O)ccc2N)n1.
What is the InChIKey of 4-amino-3-[(2-methyltetrazol-5-yl)methoxy]benzoic acid?
The InChIKey is SPJRTFJRHKRUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O3/c1-15-13-9(12-14-15)5-18-8-4-6(10(16)17)2-3-7(8)11/h2-4H,5,11H2,1H3,(H,16,17).
What are the key properties of 4-amino-3-[(2-methyltetrazol-5-yl)methoxy]benzoic acid?
4-amino-3-[(2-methyltetrazol-5-yl)methoxy]benzoic acid has a molecular weight of 249.23 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[(2-methyltetrazol-5-yl)methoxy]benzoic acid is sourced from PubChem (CID 107044786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).