2-[4-[[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]methyl]triazol-1-yl]acetic acid

C17H22N4O5 — CID 120698966

IUPAC2-[4-[[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]methyl]triazol-1-yl]acetic acid
SMILESCC(C)COc1cccc(OCC(=O)NCc2cn(CC(=O)O)nn2)c1
InChIInChI=1S/C17H22N4O5/c1-12(2)10-25-14-4-3-5-15(6-14)26-11-16(22)18-7-13-8-21(20-19-13)9-17(23)24/h3-6,8,12H,7,9-11H2,1-2H3,(H,18,22)(H,23,24)
InChIKeyFEUZPQRPWIMXOZ-UHFFFAOYSA-N
MW362.39 g/mol
LogP1.09
Rot. Bonds10

About 2-[4-[[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]methyl]triazol-1-yl]acetic acid

2-[4-[[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]methyl]triazol-1-yl]acetic acid (PubChem CID 120698966) has the molecular formula C17H22N4O5 and a molecular weight of 362.39 g/mol. Its IUPAC name is 2-[4-[[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]methyl]triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]methyl]triazol-1-yl]acetic acid
PubChem CID120698966
Molecular FormulaC17H22N4O5
Molecular Weight362.39 g/mol
Exact Mass362.16
IUPAC Name2-[4-[[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]methyl]triazol-1-yl]acetic acid
SMILESCC(C)COc1cccc(OCC(=O)NCc2cn(CC(=O)O)nn2)c1
InChIInChI=1S/C17H22N4O5/c1-12(2)10-25-14-4-3-5-15(6-14)26-11-16(22)18-7-13-8-21(20-19-13)9-17(23)24/h3-6,8,12H,7,9-11H2,1-2H3,(H,18,22)(H,23,24)
InChIKeyFEUZPQRPWIMXOZ-UHFFFAOYSA-N
XLogP1.09
TPSA115.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-[[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]methyl]triazol-1-yl]acetic acid with MolForge

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Related Compounds

2-[4-[[[2-(4-propan-2-ylphenoxy)acetyl]amino]methyl]triazol-1-yl]acetic acid
CID 120697874
2-[4-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698154
2-[4-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698658
2-[4-[[4-(3-bromophenoxy)butanoylamino]methyl]triazol-1-yl]acetic acid
CID 120698942
2-[4-[[[4-(2-methylpropoxy)-1-phenylpyrazole-3-carbonyl]amino]methyl]triazol-1-yl]acetic acid
CID 120699002
N-[(1-benzyltriazol-4-yl)methyl]-2-phenoxyacetamide
CID 102109795
2-[4-[[2-(3-propan-2-ylphenoxy)propanoylamino]methyl]triazol-1-yl]acetic acid
CID 120698762
2-[4-[[3-(3,5-dimethoxyphenyl)propanoylamino]methyl]triazol-1-yl]acetic acid
CID 120698949
2-[4-[[[2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698577
2-[4-[[(4-methoxy-3-methylbutanoyl)amino]methyl]triazol-1-yl]acetic acid
CID 113313833
2-[4-[[3-(2-methylpropoxy)anilino]methyl]triazol-1-yl]ethanol
CID 66269059
2-[4-[[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698776

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]methyl]triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]methyl]triazol-1-yl]acetic acid (CID 120698966) is 2-[4-[[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]methyl]triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]methyl]triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]methyl]triazol-1-yl]acetic acid is CC(C)COc1cccc(OCC(=O)NCc2cn(CC(=O)O)nn2)c1.
What is the InChIKey of 2-[4-[[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]methyl]triazol-1-yl]acetic acid?
The InChIKey is FEUZPQRPWIMXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O5/c1-12(2)10-25-14-4-3-5-15(6-14)26-11-16(22)18-7-13-8-21(20-19-13)9-17(23)24/h3-6,8,12H,7,9-11H2,1-2H3,(H,18,22)(H,23,24).
What are the key properties of 2-[4-[[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]methyl]triazol-1-yl]acetic acid?
2-[4-[[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]methyl]triazol-1-yl]acetic acid has a molecular weight of 362.39 g/mol, XLogP of 1.09, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]methyl]triazol-1-yl]acetic acid is sourced from PubChem (CID 120698966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).