3-methyl-5-oxo-5-[4-(tetrazol-1-yl)anilino]pentanoic acid

C13H15N5O3 — CID 62964862

IUPAC3-methyl-5-oxo-5-[4-(tetrazol-1-yl)anilino]pentanoic acid
SMILESCC(CC(=O)O)CC(=O)Nc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C13H15N5O3/c1-9(7-13(20)21)6-12(19)15-10-2-4-11(5-3-10)18-8-14-16-17-18/h2-5,8-9H,6-7H2,1H3,(H,15,19)(H,20,21)
InChIKeyQXZZIFFPDBEWII-UHFFFAOYSA-N
MW289.30 g/mol
LogP1.10
Rot. Bonds6

About 3-methyl-5-oxo-5-[4-(tetrazol-1-yl)anilino]pentanoic acid

3-methyl-5-oxo-5-[4-(tetrazol-1-yl)anilino]pentanoic acid (PubChem CID 62964862) has the molecular formula C13H15N5O3 and a molecular weight of 289.30 g/mol. Its IUPAC name is 3-methyl-5-oxo-5-[4-(tetrazol-1-yl)anilino]pentanoic acid.

Molecular Properties

Compound Name3-methyl-5-oxo-5-[4-(tetrazol-1-yl)anilino]pentanoic acid
PubChem CID62964862
Molecular FormulaC13H15N5O3
Molecular Weight289.30 g/mol
Exact Mass289.12
IUPAC Name3-methyl-5-oxo-5-[4-(tetrazol-1-yl)anilino]pentanoic acid
SMILESCC(CC(=O)O)CC(=O)Nc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C13H15N5O3/c1-9(7-13(20)21)6-12(19)15-10-2-4-11(5-3-10)18-8-14-16-17-18/h2-5,8-9H,6-7H2,1H3,(H,15,19)(H,20,21)
InChIKeyQXZZIFFPDBEWII-UHFFFAOYSA-N
XLogP1.10
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-methyl-5-oxo-5-[4-(tetrazol-1-yl)anilino]pentanoic 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

3-amino-N-[4-(tetrazol-1-yl)phenyl]butanamide
CID 61260719
3-chloro-N-[4-(tetrazol-1-yl)phenyl]propanamide
CID 43167870
N-[4-(tetrazol-1-yl)phenyl]hexanamide
CID 18083677
N-(4-propan-2-ylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 2709032
(2S)-2-amino-3-methyl-N-[4-(tetrazol-1-yl)phenyl]butanamide
CID 61259268
5-bromo-N-[4-(tetrazol-1-yl)phenyl]pentanamide
CID 114014593
5-(4-fluoroanilino)-3-methyl-5-oxopentanoic acid
CID 2732332
2,3-dimethyl-4-oxo-4-[4-(tetrazol-1-yl)anilino]but-2-enoic acid
CID 76991541
2-bromo-N-[4-(tetrazol-1-yl)phenyl]butanamide
CID 62854275
(2S)-2-amino-N-[4-(tetrazol-1-yl)phenyl]butanamide
CID 79022947
2-(3,4-dimethylphenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 18079837
(3S)-5-(4-ethoxycarbonylanilino)-3-methyl-5-oxopentanoic acid
CID 753761

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-oxo-5-[4-(tetrazol-1-yl)anilino]pentanoic acid?
The IUPAC name of 3-methyl-5-oxo-5-[4-(tetrazol-1-yl)anilino]pentanoic acid (CID 62964862) is 3-methyl-5-oxo-5-[4-(tetrazol-1-yl)anilino]pentanoic acid.
What is the SMILES notation for 3-methyl-5-oxo-5-[4-(tetrazol-1-yl)anilino]pentanoic acid?
The canonical SMILES for 3-methyl-5-oxo-5-[4-(tetrazol-1-yl)anilino]pentanoic acid is CC(CC(=O)O)CC(=O)Nc1ccc(-n2cnnn2)cc1.
What is the InChIKey of 3-methyl-5-oxo-5-[4-(tetrazol-1-yl)anilino]pentanoic acid?
The InChIKey is QXZZIFFPDBEWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c1-9(7-13(20)21)6-12(19)15-10-2-4-11(5-3-10)18-8-14-16-17-18/h2-5,8-9H,6-7H2,1H3,(H,15,19)(H,20,21).
What are the key properties of 3-methyl-5-oxo-5-[4-(tetrazol-1-yl)anilino]pentanoic acid?
3-methyl-5-oxo-5-[4-(tetrazol-1-yl)anilino]pentanoic acid has a molecular weight of 289.30 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-oxo-5-[4-(tetrazol-1-yl)anilino]pentanoic acid is sourced from PubChem (CID 62964862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).