2-oxo-2-[3-(2H-tetrazol-5-yl)anilino]acetic acid

C9H7N5O3 — CID 2006

💊View drug profile → acitazanolast
IUPAC2-oxo-2-[3-(2H-tetrazol-5-yl)anilino]acetic acid
SMILESO=C(O)C(=O)Nc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C9H7N5O3/c15-8(9(16)17)10-6-3-1-2-5(4-6)7-11-13-14-12-7/h1-4H,(H,10,15)(H,16,17)(H,11,12,13,14)
InChIKeyVWQZJJZGISNFOE-UHFFFAOYSA-N
MW233.19 g/mol
LogP-0.11
Rot. Bonds2

About 2-oxo-2-[3-(2H-tetrazol-5-yl)anilino]acetic acid

2-oxo-2-[3-(2H-tetrazol-5-yl)anilino]acetic acid (PubChem CID 2006) has the molecular formula C9H7N5O3 and a molecular weight of 233.19 g/mol. Its IUPAC name is 2-oxo-2-[3-(2H-tetrazol-5-yl)anilino]acetic acid.

Molecular Properties

Compound Name2-oxo-2-[3-(2H-tetrazol-5-yl)anilino]acetic acid
PubChem CID2006
Molecular FormulaC9H7N5O3
Molecular Weight233.19 g/mol
Exact Mass233.05
IUPAC Name2-oxo-2-[3-(2H-tetrazol-5-yl)anilino]acetic acid
SMILESO=C(O)C(=O)Nc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C9H7N5O3/c15-8(9(16)17)10-6-3-1-2-5(4-6)7-11-13-14-12-7/h1-4H,(H,10,15)(H,16,17)(H,11,12,13,14)
InChIKeyVWQZJJZGISNFOE-UHFFFAOYSA-N
XLogP-0.11
TPSA120.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-oxo-2-[3-(2H-tetrazol-5-yl)anilino]acetic acid with MolForge

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

Launch Full Analysis

Related Compounds

N-(3-(2H-Tetrazol-5-yl)phenyl)acetamide
CID 3055901
Butyl 2-oxo-2-((3-(2H-tetrazol-5-yl)phenyl)amino)acetate
CID 5380
N-[4-(2H-tetrazol-5-yl)phenyl]acetamide
CID 890652
N-[2-(2H-Tetrazol-5-yl)phenyl]acetamide
CID 4440906
Acitazanolast Hydrate
CID 11954321
(Rs)-a-methyl-4-phosphonophenylglycine
CID 66766693
CID 73265299
CID 73265299
2-((3-(1H-1,2,3,4-tetrazol-5-yl)phenyl)carbamoyl)acetic acid
CID 62231332
3,3,3-trifluoro-2-hydroxy-2-methyl-N-[4-(2H-tetrazol-5-yl)phenyl]propanamide
CID 44378367
[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]carbamic acid
CID 22396316
N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]propanamide
CID 66855537
N-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]pentanamide
CID 66855818

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-[3-(2H-tetrazol-5-yl)anilino]acetic acid?
The IUPAC name of 2-oxo-2-[3-(2H-tetrazol-5-yl)anilino]acetic acid (CID 2006) is 2-oxo-2-[3-(2H-tetrazol-5-yl)anilino]acetic acid.
What is the SMILES notation for 2-oxo-2-[3-(2H-tetrazol-5-yl)anilino]acetic acid?
The canonical SMILES for 2-oxo-2-[3-(2H-tetrazol-5-yl)anilino]acetic acid is O=C(O)C(=O)Nc1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of 2-oxo-2-[3-(2H-tetrazol-5-yl)anilino]acetic acid?
The InChIKey is VWQZJJZGISNFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5O3/c15-8(9(16)17)10-6-3-1-2-5(4-6)7-11-13-14-12-7/h1-4H,(H,10,15)(H,16,17)(H,11,12,13,14).
What are the key properties of 2-oxo-2-[3-(2H-tetrazol-5-yl)anilino]acetic acid?
2-oxo-2-[3-(2H-tetrazol-5-yl)anilino]acetic acid has a molecular weight of 233.19 g/mol, XLogP of -0.11, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-[3-(2H-tetrazol-5-yl)anilino]acetic acid is sourced from PubChem (CID 2006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).