2-amino-4-(2-ethyltetrazol-5-yl)benzoic acid

C10H11N5O2 — CID 28643096

IUPAC2-amino-4-(2-ethyltetrazol-5-yl)benzoic acid
SMILESCCn1nnc(-c2ccc(C(=O)O)c(N)c2)n1
InChIInChI=1S/C10H11N5O2/c1-2-15-13-9(12-14-15)6-3-4-7(10(16)17)8(11)5-6/h3-5H,2,11H2,1H3,(H,16,17)
InChIKeyRFLMYCMCUMIADZ-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.64
Rot. Bonds3

About 2-amino-4-(2-ethyltetrazol-5-yl)benzoic acid

2-amino-4-(2-ethyltetrazol-5-yl)benzoic acid (PubChem CID 28643096) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is 2-amino-4-(2-ethyltetrazol-5-yl)benzoic acid.

Molecular Properties

Compound Name2-amino-4-(2-ethyltetrazol-5-yl)benzoic acid
PubChem CID28643096
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name2-amino-4-(2-ethyltetrazol-5-yl)benzoic acid
SMILESCCn1nnc(-c2ccc(C(=O)O)c(N)c2)n1
InChIInChI=1S/C10H11N5O2/c1-2-15-13-9(12-14-15)6-3-4-7(10(16)17)8(11)5-6/h3-5H,2,11H2,1H3,(H,16,17)
InChIKeyRFLMYCMCUMIADZ-UHFFFAOYSA-N
XLogP0.64
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-ethyltetrazol-5-yl)benzoic acid?
The IUPAC name of 2-amino-4-(2-ethyltetrazol-5-yl)benzoic acid (CID 28643096) is 2-amino-4-(2-ethyltetrazol-5-yl)benzoic acid.
What is the SMILES notation for 2-amino-4-(2-ethyltetrazol-5-yl)benzoic acid?
The canonical SMILES for 2-amino-4-(2-ethyltetrazol-5-yl)benzoic acid is CCn1nnc(-c2ccc(C(=O)O)c(N)c2)n1.
What is the InChIKey of 2-amino-4-(2-ethyltetrazol-5-yl)benzoic acid?
The InChIKey is RFLMYCMCUMIADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c1-2-15-13-9(12-14-15)6-3-4-7(10(16)17)8(11)5-6/h3-5H,2,11H2,1H3,(H,16,17).
What are the key properties of 2-amino-4-(2-ethyltetrazol-5-yl)benzoic acid?
2-amino-4-(2-ethyltetrazol-5-yl)benzoic acid has a molecular weight of 233.23 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-ethyltetrazol-5-yl)benzoic acid is sourced from PubChem (CID 28643096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).