2-(4-hydroxy-N-[2-(triazol-1-yl)acetyl]anilino)acetic acid

C12H12N4O4 — CID 115348095

IUPAC2-(4-hydroxy-N-[2-(triazol-1-yl)acetyl]anilino)acetic acid
SMILESO=C(O)CN(C(=O)Cn1ccnn1)c1ccc(O)cc1
InChIInChI=1S/C12H12N4O4/c17-10-3-1-9(2-4-10)16(8-12(19)20)11(18)7-15-6-5-13-14-15/h1-6,17H,7-8H2,(H,19,20)
InChIKeyFFOXRILAQNZPEI-UHFFFAOYSA-N
MW276.25 g/mol
LogP0.10
Rot. Bonds5

About 2-(4-hydroxy-N-[2-(triazol-1-yl)acetyl]anilino)acetic acid

2-(4-hydroxy-N-[2-(triazol-1-yl)acetyl]anilino)acetic acid (PubChem CID 115348095) has the molecular formula C12H12N4O4 and a molecular weight of 276.25 g/mol. Its IUPAC name is 2-(4-hydroxy-N-[2-(triazol-1-yl)acetyl]anilino)acetic acid.

Molecular Properties

Compound Name2-(4-hydroxy-N-[2-(triazol-1-yl)acetyl]anilino)acetic acid
PubChem CID115348095
Molecular FormulaC12H12N4O4
Molecular Weight276.25 g/mol
Exact Mass276.09
IUPAC Name2-(4-hydroxy-N-[2-(triazol-1-yl)acetyl]anilino)acetic acid
SMILESO=C(O)CN(C(=O)Cn1ccnn1)c1ccc(O)cc1
InChIInChI=1S/C12H12N4O4/c17-10-3-1-9(2-4-10)16(8-12(19)20)11(18)7-15-6-5-13-14-15/h1-6,17H,7-8H2,(H,19,20)
InChIKeyFFOXRILAQNZPEI-UHFFFAOYSA-N
XLogP0.10
TPSA108.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-N-[2-(triazol-1-yl)acetyl]anilino)acetic acid?
The IUPAC name of 2-(4-hydroxy-N-[2-(triazol-1-yl)acetyl]anilino)acetic acid (CID 115348095) is 2-(4-hydroxy-N-[2-(triazol-1-yl)acetyl]anilino)acetic acid.
What is the SMILES notation for 2-(4-hydroxy-N-[2-(triazol-1-yl)acetyl]anilino)acetic acid?
The canonical SMILES for 2-(4-hydroxy-N-[2-(triazol-1-yl)acetyl]anilino)acetic acid is O=C(O)CN(C(=O)Cn1ccnn1)c1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxy-N-[2-(triazol-1-yl)acetyl]anilino)acetic acid?
The InChIKey is FFOXRILAQNZPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O4/c17-10-3-1-9(2-4-10)16(8-12(19)20)11(18)7-15-6-5-13-14-15/h1-6,17H,7-8H2,(H,19,20).
What are the key properties of 2-(4-hydroxy-N-[2-(triazol-1-yl)acetyl]anilino)acetic acid?
2-(4-hydroxy-N-[2-(triazol-1-yl)acetyl]anilino)acetic acid has a molecular weight of 276.25 g/mol, XLogP of 0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-N-[2-(triazol-1-yl)acetyl]anilino)acetic acid is sourced from PubChem (CID 115348095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).