2-amino-4-[2-(carboxymethyl)tetrazol-5-yl]benzoic acid

C10H9N5O4 — CID 28643045

IUPAC2-amino-4-[2-(carboxymethyl)tetrazol-5-yl]benzoic acid
SMILESNc1cc(-c2nnn(CC(=O)O)n2)ccc1C(=O)O
InChIInChI=1S/C10H9N5O4/c11-7-3-5(1-2-6(7)10(18)19)9-12-14-15(13-9)4-8(16)17/h1-3H,4,11H2,(H,16,17)(H,18,19)
InChIKeyDRWDQVKMKLXPCK-UHFFFAOYSA-N
MW263.21 g/mol
LogP-0.29
Rot. Bonds4

About 2-amino-4-[2-(carboxymethyl)tetrazol-5-yl]benzoic acid

2-amino-4-[2-(carboxymethyl)tetrazol-5-yl]benzoic acid (PubChem CID 28643045) has the molecular formula C10H9N5O4 and a molecular weight of 263.21 g/mol. Its IUPAC name is 2-amino-4-[2-(carboxymethyl)tetrazol-5-yl]benzoic acid.

Molecular Properties

Compound Name2-amino-4-[2-(carboxymethyl)tetrazol-5-yl]benzoic acid
PubChem CID28643045
Molecular FormulaC10H9N5O4
Molecular Weight263.21 g/mol
Exact Mass263.07
IUPAC Name2-amino-4-[2-(carboxymethyl)tetrazol-5-yl]benzoic acid
SMILESNc1cc(-c2nnn(CC(=O)O)n2)ccc1C(=O)O
InChIInChI=1S/C10H9N5O4/c11-7-3-5(1-2-6(7)10(18)19)9-12-14-15(13-9)4-8(16)17/h1-3H,4,11H2,(H,16,17)(H,18,19)
InChIKeyDRWDQVKMKLXPCK-UHFFFAOYSA-N
XLogP-0.29
TPSA144.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-amino-4-[2-(carboxymethyl)tetrazol-5-yl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2-(carboxymethyl)tetrazol-5-yl]benzoic acid?
The IUPAC name of 2-amino-4-[2-(carboxymethyl)tetrazol-5-yl]benzoic acid (CID 28643045) is 2-amino-4-[2-(carboxymethyl)tetrazol-5-yl]benzoic acid.
What is the SMILES notation for 2-amino-4-[2-(carboxymethyl)tetrazol-5-yl]benzoic acid?
The canonical SMILES for 2-amino-4-[2-(carboxymethyl)tetrazol-5-yl]benzoic acid is Nc1cc(-c2nnn(CC(=O)O)n2)ccc1C(=O)O.
What is the InChIKey of 2-amino-4-[2-(carboxymethyl)tetrazol-5-yl]benzoic acid?
The InChIKey is DRWDQVKMKLXPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O4/c11-7-3-5(1-2-6(7)10(18)19)9-12-14-15(13-9)4-8(16)17/h1-3H,4,11H2,(H,16,17)(H,18,19).
What are the key properties of 2-amino-4-[2-(carboxymethyl)tetrazol-5-yl]benzoic acid?
2-amino-4-[2-(carboxymethyl)tetrazol-5-yl]benzoic acid has a molecular weight of 263.21 g/mol, XLogP of -0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[2-(carboxymethyl)tetrazol-5-yl]benzoic acid is sourced from PubChem (CID 28643045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).