2-[4-[[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]methyl]triazol-1-yl]acetic acid

C15H15N5O5 — CID 120698776

IUPAC2-[4-[[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]methyl]triazol-1-yl]acetic acid
SMILESCOc1cc(C#N)ccc1OCC(=O)NCc1cn(CC(=O)O)nn1
InChIInChI=1S/C15H15N5O5/c1-24-13-4-10(5-16)2-3-12(13)25-9-14(21)17-6-11-7-20(19-18-11)8-15(22)23/h2-4,7H,6,8-9H2,1H3,(H,17,21)(H,22,23)
InChIKeyRUYLQNZWJZXEII-UHFFFAOYSA-N
MW345.32 g/mol
LogP-0.06
Rot. Bonds8

About 2-[4-[[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]methyl]triazol-1-yl]acetic acid

2-[4-[[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]methyl]triazol-1-yl]acetic acid (PubChem CID 120698776) has the molecular formula C15H15N5O5 and a molecular weight of 345.32 g/mol. Its IUPAC name is 2-[4-[[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]methyl]triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]methyl]triazol-1-yl]acetic acid
PubChem CID120698776
Molecular FormulaC15H15N5O5
Molecular Weight345.32 g/mol
Exact Mass345.11
IUPAC Name2-[4-[[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]methyl]triazol-1-yl]acetic acid
SMILESCOc1cc(C#N)ccc1OCC(=O)NCc1cn(CC(=O)O)nn1
InChIInChI=1S/C15H15N5O5/c1-24-13-4-10(5-16)2-3-12(13)25-9-14(21)17-6-11-7-20(19-18-11)8-15(22)23/h2-4,7H,6,8-9H2,1H3,(H,17,21)(H,22,23)
InChIKeyRUYLQNZWJZXEII-UHFFFAOYSA-N
XLogP-0.06
TPSA139.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-[[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]methyl]triazol-1-yl]acetic acid
CID 120697881
2-[4-[[[2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698577
2-[4-[[[2-(4-propan-2-ylphenoxy)acetyl]amino]methyl]triazol-1-yl]acetic acid
CID 120697874
2-[4-[[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698338
2-(4-cyano-2-methoxyphenoxy)-N-(2-methylpropyl)acetamide
CID 2559188
N-carbamoyl-2-(4-cyano-2-methoxyphenoxy)acetamide
CID 2492394
2-[4-[[(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]triazol-1-yl]acetic acid
CID 120698597
3-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]-2,2-dimethylpropanoic acid
CID 119249131
2-[4-[[3-(3,5-dimethoxyphenyl)propanoylamino]methyl]triazol-1-yl]acetic acid
CID 120698949
2-[[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]methyl]-4-methylpentanoic acid
CID 119252697
3-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]butanoic acid
CID 119220599
2-[4-[[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698966

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]methyl]triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]methyl]triazol-1-yl]acetic acid (CID 120698776) is 2-[4-[[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]methyl]triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]methyl]triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]methyl]triazol-1-yl]acetic acid is COc1cc(C#N)ccc1OCC(=O)NCc1cn(CC(=O)O)nn1.
What is the InChIKey of 2-[4-[[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]methyl]triazol-1-yl]acetic acid?
The InChIKey is RUYLQNZWJZXEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O5/c1-24-13-4-10(5-16)2-3-12(13)25-9-14(21)17-6-11-7-20(19-18-11)8-15(22)23/h2-4,7H,6,8-9H2,1H3,(H,17,21)(H,22,23).
What are the key properties of 2-[4-[[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]methyl]triazol-1-yl]acetic acid?
2-[4-[[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]methyl]triazol-1-yl]acetic acid has a molecular weight of 345.32 g/mol, XLogP of -0.06, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]methyl]triazol-1-yl]acetic acid is sourced from PubChem (CID 120698776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).