2-amino-6-[(2-methyltetrazol-5-yl)methoxy]benzoic acid

C10H11N5O3 — CID 107341596

IUPAC2-amino-6-[(2-methyltetrazol-5-yl)methoxy]benzoic acid
SMILESCn1nnc(COc2cccc(N)c2C(=O)O)n1
InChIInChI=1S/C10H11N5O3/c1-15-13-8(12-14-15)5-18-7-4-2-3-6(11)9(7)10(16)17/h2-4H,5,11H2,1H3,(H,16,17)
InChIKeySRLHLTIQFAJTCN-UHFFFAOYSA-N
MW249.23 g/mol
LogP0.07
Rot. Bonds4

About 2-amino-6-[(2-methyltetrazol-5-yl)methoxy]benzoic acid

2-amino-6-[(2-methyltetrazol-5-yl)methoxy]benzoic acid (PubChem CID 107341596) has the molecular formula C10H11N5O3 and a molecular weight of 249.23 g/mol. Its IUPAC name is 2-amino-6-[(2-methyltetrazol-5-yl)methoxy]benzoic acid.

Molecular Properties

Compound Name2-amino-6-[(2-methyltetrazol-5-yl)methoxy]benzoic acid
PubChem CID107341596
Molecular FormulaC10H11N5O3
Molecular Weight249.23 g/mol
Exact Mass249.09
IUPAC Name2-amino-6-[(2-methyltetrazol-5-yl)methoxy]benzoic acid
SMILESCn1nnc(COc2cccc(N)c2C(=O)O)n1
InChIInChI=1S/C10H11N5O3/c1-15-13-8(12-14-15)5-18-7-4-2-3-6(11)9(7)10(16)17/h2-4H,5,11H2,1H3,(H,16,17)
InChIKeySRLHLTIQFAJTCN-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

(2-methyltetrazol-5-yl)methyl 2-amino-6-ethoxybenzoate
CID 107052196
4-amino-3-[(2-methyltetrazol-5-yl)methoxy]benzoic acid
CID 107044786
3-methoxy-2-[(2-methyltetrazol-5-yl)methoxy]benzoic acid
CID 107040946
5-[(2,3-dimethylphenoxy)methyl]-2-methyltetrazole
CID 107055284
4-methoxy-3-[(2-methyltetrazol-5-yl)methoxy]benzoic acid
CID 107040973
2-amino-6-(2-methylsulfanylethoxy)benzoic acid
CID 107341426
5-[(2-fluoro-3-methylphenoxy)methyl]-2-methyltetrazole
CID 107661914
5-[(2-bromophenoxy)methyl]-2-methyltetrazole
CID 107043106
2-amino-6-[(1,3-diethylpyrazol-5-yl)methoxy]benzoic acid
CID 107341422
2-amino-6-(1,3-thiazol-2-ylmethoxy)benzoic acid
CID 107341512
5-[(2-methyltetrazol-5-yl)methoxy]pyridine-2-carboxylic acid
CID 107043205
2-amino-6-(2-ethoxyethoxy)benzoic acid
CID 107341443

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[(2-methyltetrazol-5-yl)methoxy]benzoic acid?
The IUPAC name of 2-amino-6-[(2-methyltetrazol-5-yl)methoxy]benzoic acid (CID 107341596) is 2-amino-6-[(2-methyltetrazol-5-yl)methoxy]benzoic acid.
What is the SMILES notation for 2-amino-6-[(2-methyltetrazol-5-yl)methoxy]benzoic acid?
The canonical SMILES for 2-amino-6-[(2-methyltetrazol-5-yl)methoxy]benzoic acid is Cn1nnc(COc2cccc(N)c2C(=O)O)n1.
What is the InChIKey of 2-amino-6-[(2-methyltetrazol-5-yl)methoxy]benzoic acid?
The InChIKey is SRLHLTIQFAJTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O3/c1-15-13-8(12-14-15)5-18-7-4-2-3-6(11)9(7)10(16)17/h2-4H,5,11H2,1H3,(H,16,17).
What are the key properties of 2-amino-6-[(2-methyltetrazol-5-yl)methoxy]benzoic acid?
2-amino-6-[(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 2-amino-6-[(2-methyltetrazol-5-yl)methoxy]benzoic acid is sourced from PubChem (CID 107341596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).