2-[4-[[(4-cyclobutylbenzoyl)amino]methyl]triazol-1-yl]acetic acid

C16H18N4O3 — CID 120698978

IUPAC2-[4-[[(4-cyclobutylbenzoyl)amino]methyl]triazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(CNC(=O)c2ccc(C3CCC3)cc2)nn1
InChIInChI=1S/C16H18N4O3/c21-15(22)10-20-9-14(18-19-20)8-17-16(23)13-6-4-12(5-7-13)11-2-1-3-11/h4-7,9,11H,1-3,8,10H2,(H,17,23)(H,21,22)
InChIKeyXDKCPAOALBIMKH-UHFFFAOYSA-N
MW314.35 g/mol
LogP1.56
Rot. Bonds6

About 2-[4-[[(4-cyclobutylbenzoyl)amino]methyl]triazol-1-yl]acetic acid

2-[4-[[(4-cyclobutylbenzoyl)amino]methyl]triazol-1-yl]acetic acid (PubChem CID 120698978) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is 2-[4-[[(4-cyclobutylbenzoyl)amino]methyl]triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[(4-cyclobutylbenzoyl)amino]methyl]triazol-1-yl]acetic acid
PubChem CID120698978
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name2-[4-[[(4-cyclobutylbenzoyl)amino]methyl]triazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(CNC(=O)c2ccc(C3CCC3)cc2)nn1
InChIInChI=1S/C16H18N4O3/c21-15(22)10-20-9-14(18-19-20)8-17-16(23)13-6-4-12(5-7-13)11-2-1-3-11/h4-7,9,11H,1-3,8,10H2,(H,17,23)(H,21,22)
InChIKeyXDKCPAOALBIMKH-UHFFFAOYSA-N
XLogP1.56
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[(4-cyclobutylbenzoyl)amino]methyl]triazol-1-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-[4-[[(3,4-dichlorobenzoyl)amino]methyl]triazol-1-yl]acetic acid
CID 115457375
2-[4-[(cyclobutylcarbamoylamino)methyl]triazol-1-yl]acetic acid
CID 115458679
2-[4-[(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)methyl]triazol-1-yl]acetic acid
CID 120698505
2-[4-[[(4-amino-3-chlorobenzoyl)amino]methyl]triazol-1-yl]acetic acid
CID 115458112
2-[4-[[(3-amino-4-bromobenzoyl)amino]methyl]triazol-1-yl]acetic acid
CID 107813286
2-[4-[(cycloheptylcarbamoylamino)methyl]triazol-1-yl]acetic acid
CID 115458494
2-[4-[(oxane-2-carbonylamino)methyl]triazol-1-yl]acetic acid
CID 113313868
2-[4-[[(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]triazol-1-yl]acetic acid
CID 120698597
2-[4-[(2,3-dihydro-1H-indene-4-carbonylamino)methyl]triazol-1-yl]acetic acid
CID 120697970
2-[4-[[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698833
2-[4-[[(1-methylpyrrole-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 113313829
2-[4-[[(5-bromothiophene-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 115457657

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(4-cyclobutylbenzoyl)amino]methyl]triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[[(4-cyclobutylbenzoyl)amino]methyl]triazol-1-yl]acetic acid (CID 120698978) is 2-[4-[[(4-cyclobutylbenzoyl)amino]methyl]triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[(4-cyclobutylbenzoyl)amino]methyl]triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[(4-cyclobutylbenzoyl)amino]methyl]triazol-1-yl]acetic acid is O=C(O)Cn1cc(CNC(=O)c2ccc(C3CCC3)cc2)nn1.
What is the InChIKey of 2-[4-[[(4-cyclobutylbenzoyl)amino]methyl]triazol-1-yl]acetic acid?
The InChIKey is XDKCPAOALBIMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c21-15(22)10-20-9-14(18-19-20)8-17-16(23)13-6-4-12(5-7-13)11-2-1-3-11/h4-7,9,11H,1-3,8,10H2,(H,17,23)(H,21,22).
What are the key properties of 2-[4-[[(4-cyclobutylbenzoyl)amino]methyl]triazol-1-yl]acetic acid?
2-[4-[[(4-cyclobutylbenzoyl)amino]methyl]triazol-1-yl]acetic acid has a molecular weight of 314.35 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(4-cyclobutylbenzoyl)amino]methyl]triazol-1-yl]acetic acid is sourced from PubChem (CID 120698978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).