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

C10H9N5O3 — CID 62231332

IUPAC3-oxo-3-[3-(2H-tetrazol-5-yl)anilino]propanoic acid
SMILESO=C(O)CC(=O)Nc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C10H9N5O3/c16-8(5-9(17)18)11-7-3-1-2-6(4-7)10-12-14-15-13-10/h1-4H,5H2,(H,11,16)(H,17,18)(H,12,13,14,15)
InChIKeyBZDPRMSVODPTGP-UHFFFAOYSA-N
MW247.21 g/mol
LogP0.28
Rot. Bonds4

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

3-oxo-3-[3-(2H-tetrazol-5-yl)anilino]propanoic acid (PubChem CID 62231332) has the molecular formula C10H9N5O3 and a molecular weight of 247.21 g/mol. Its IUPAC name is 3-oxo-3-[3-(2H-tetrazol-5-yl)anilino]propanoic acid.

Molecular Properties

Compound Name3-oxo-3-[3-(2H-tetrazol-5-yl)anilino]propanoic acid
PubChem CID62231332
Molecular FormulaC10H9N5O3
Molecular Weight247.21 g/mol
Exact Mass247.07
IUPAC Name3-oxo-3-[3-(2H-tetrazol-5-yl)anilino]propanoic acid
SMILESO=C(O)CC(=O)Nc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C10H9N5O3/c16-8(5-9(17)18)11-7-3-1-2-6(4-7)10-12-14-15-13-10/h1-4H,5H2,(H,11,16)(H,17,18)(H,12,13,14,15)
InChIKeyBZDPRMSVODPTGP-UHFFFAOYSA-N
XLogP0.28
TPSA120.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-oxo-3-[3-(2H-tetrazol-5-yl)anilino]propanoic 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

Acitazanolast
CID 2006
N-(3-(2H-Tetrazol-5-yl)phenyl)acetamide
CID 3055901
N-[4-(2H-tetrazol-5-yl)phenyl]acetamide
CID 890652
N-[2-(2H-Tetrazol-5-yl)phenyl]acetamide
CID 4440906
Acitazanolast Hydrate
CID 11954321
2-oxo-N-[3-(2H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 137628322
2-(2H-tetrazol-5-yl)-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide
CID 172434732
CID 73265299
CID 73265299
(S)-N-(3-(2H-tetrazol-5-yl)phenyl)-3-mercapto-2-methylpropanamide
CID 155937474
N-(3-methylphenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499436
N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]pentanamide
CID 66853598
N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]propanamide
CID 66855537

Frequently Asked Questions

What is the IUPAC name of 3-oxo-3-[3-(2H-tetrazol-5-yl)anilino]propanoic acid?
The IUPAC name of 3-oxo-3-[3-(2H-tetrazol-5-yl)anilino]propanoic acid (CID 62231332) is 3-oxo-3-[3-(2H-tetrazol-5-yl)anilino]propanoic acid.
What is the SMILES notation for 3-oxo-3-[3-(2H-tetrazol-5-yl)anilino]propanoic acid?
The canonical SMILES for 3-oxo-3-[3-(2H-tetrazol-5-yl)anilino]propanoic acid is O=C(O)CC(=O)Nc1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of 3-oxo-3-[3-(2H-tetrazol-5-yl)anilino]propanoic acid?
The InChIKey is BZDPRMSVODPTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O3/c16-8(5-9(17)18)11-7-3-1-2-6(4-7)10-12-14-15-13-10/h1-4H,5H2,(H,11,16)(H,17,18)(H,12,13,14,15).
What are the key properties of 3-oxo-3-[3-(2H-tetrazol-5-yl)anilino]propanoic acid?
3-oxo-3-[3-(2H-tetrazol-5-yl)anilino]propanoic acid has a molecular weight of 247.21 g/mol, XLogP of 0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-3-[3-(2H-tetrazol-5-yl)anilino]propanoic acid is sourced from PubChem (CID 62231332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).