2-[3-[2-(4-acetamidoanilino)-2-oxoethyl]triazol-4-yl]acetic acid

C14H15N5O4 — CID 94935663

IUPAC2-[3-[2-(4-acetamidoanilino)-2-oxoethyl]triazol-4-yl]acetic acid
SMILESCC(=O)Nc1ccc(NC(=O)Cn2nncc2CC(=O)O)cc1
InChIInChI=1S/C14H15N5O4/c1-9(20)16-10-2-4-11(5-3-10)17-13(21)8-19-12(6-14(22)23)7-15-18-19/h2-5,7H,6,8H2,1H3,(H,16,20)(H,17,21)(H,22,23)
InChIKeyWRAKTWNVGPGPLI-UHFFFAOYSA-N
MW317.31 g/mol
LogP0.50
Rot. Bonds6

About 2-[3-[2-(4-acetamidoanilino)-2-oxoethyl]triazol-4-yl]acetic acid

2-[3-[2-(4-acetamidoanilino)-2-oxoethyl]triazol-4-yl]acetic acid (PubChem CID 94935663) has the molecular formula C14H15N5O4 and a molecular weight of 317.31 g/mol. Its IUPAC name is 2-[3-[2-(4-acetamidoanilino)-2-oxoethyl]triazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[2-(4-acetamidoanilino)-2-oxoethyl]triazol-4-yl]acetic acid
PubChem CID94935663
Molecular FormulaC14H15N5O4
Molecular Weight317.31 g/mol
Exact Mass317.11
IUPAC Name2-[3-[2-(4-acetamidoanilino)-2-oxoethyl]triazol-4-yl]acetic acid
SMILESCC(=O)Nc1ccc(NC(=O)Cn2nncc2CC(=O)O)cc1
InChIInChI=1S/C14H15N5O4/c1-9(20)16-10-2-4-11(5-3-10)17-13(21)8-19-12(6-14(22)23)7-15-18-19/h2-5,7H,6,8H2,1H3,(H,16,20)(H,17,21)(H,22,23)
InChIKeyWRAKTWNVGPGPLI-UHFFFAOYSA-N
XLogP0.50
TPSA126.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[3-[2-(4-acetamidoanilino)-2-oxoethyl]triazol-4-yl]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

2-[3-[2-(4-tert-butylanilino)-2-oxoethyl]triazol-4-yl]acetic acid
CID 94935664
2-[3-[2-(2,6-dimethylanilino)-2-oxoethyl]triazol-4-yl]acetic acid
CID 82194793
2-[3-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]triazol-4-yl]acetic acid
CID 82194819
2-[5-(aminomethyl)triazol-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 82201953
2-[5-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]triazol-1-yl]-N-(4-methylphenyl)acetamide
CID 156597502
3-[2-(4-tert-butylanilino)-2-oxoethyl]triazole-4-carboxylic acid
CID 82194777
3-(4-acetamidoanilino)-3-oxopropanoic acid
CID 55049633
2-[4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]phenyl]acetic acid
CID 43648219
N-(4-acetamidophenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide
CID 110688871
N-(4-acetamidophenyl)-2-(4-chloropyrazol-1-yl)acetamide
CID 19524818
N-(4-acetamidophenyl)-2-[3-(difluoromethyl)-5-methyl-4-nitropyrazol-1-yl]acetamide
CID 19528981
N-[4-(diethylamino)phenyl]-2-(tetrazol-1-yl)acetamide
CID 78776629

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(4-acetamidoanilino)-2-oxoethyl]triazol-4-yl]acetic acid?
The IUPAC name of 2-[3-[2-(4-acetamidoanilino)-2-oxoethyl]triazol-4-yl]acetic acid (CID 94935663) is 2-[3-[2-(4-acetamidoanilino)-2-oxoethyl]triazol-4-yl]acetic acid.
What is the SMILES notation for 2-[3-[2-(4-acetamidoanilino)-2-oxoethyl]triazol-4-yl]acetic acid?
The canonical SMILES for 2-[3-[2-(4-acetamidoanilino)-2-oxoethyl]triazol-4-yl]acetic acid is CC(=O)Nc1ccc(NC(=O)Cn2nncc2CC(=O)O)cc1.
What is the InChIKey of 2-[3-[2-(4-acetamidoanilino)-2-oxoethyl]triazol-4-yl]acetic acid?
The InChIKey is WRAKTWNVGPGPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O4/c1-9(20)16-10-2-4-11(5-3-10)17-13(21)8-19-12(6-14(22)23)7-15-18-19/h2-5,7H,6,8H2,1H3,(H,16,20)(H,17,21)(H,22,23).
What are the key properties of 2-[3-[2-(4-acetamidoanilino)-2-oxoethyl]triazol-4-yl]acetic acid?
2-[3-[2-(4-acetamidoanilino)-2-oxoethyl]triazol-4-yl]acetic acid has a molecular weight of 317.31 g/mol, XLogP of 0.50, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(4-acetamidoanilino)-2-oxoethyl]triazol-4-yl]acetic acid is sourced from PubChem (CID 94935663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).