2-hydroxy-3-(triazol-1-yl)propanoic acid

C5H7N3O3 — CID 84650508

IUPAC2-hydroxy-3-(triazol-1-yl)propanoic acid
SMILESO=C(O)C(O)Cn1ccnn1
InChIInChI=1S/C5H7N3O3/c9-4(5(10)11)3-8-2-1-6-7-8/h1-2,4,9H,3H2,(H,10,11)
InChIKeyBQPHWTFSBPCNRG-UHFFFAOYSA-N
MW157.13 g/mol
LogP-1.28
Rot. Bonds3

About 2-hydroxy-3-(triazol-1-yl)propanoic acid

2-hydroxy-3-(triazol-1-yl)propanoic acid (PubChem CID 84650508) has the molecular formula C5H7N3O3 and a molecular weight of 157.13 g/mol. Its IUPAC name is 2-hydroxy-3-(triazol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-(triazol-1-yl)propanoic acid
PubChem CID84650508
Molecular FormulaC5H7N3O3
Molecular Weight157.13 g/mol
Exact Mass157.05
IUPAC Name2-hydroxy-3-(triazol-1-yl)propanoic acid
SMILESO=C(O)C(O)Cn1ccnn1
InChIInChI=1S/C5H7N3O3/c9-4(5(10)11)3-8-2-1-6-7-8/h1-2,4,9H,3H2,(H,10,11)
InChIKeyBQPHWTFSBPCNRG-UHFFFAOYSA-N
XLogP-1.28
TPSA88.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(triazol-1-yl)propanoic acid?
The IUPAC name of 2-hydroxy-3-(triazol-1-yl)propanoic acid (CID 84650508) is 2-hydroxy-3-(triazol-1-yl)propanoic acid.
What is the SMILES notation for 2-hydroxy-3-(triazol-1-yl)propanoic acid?
The canonical SMILES for 2-hydroxy-3-(triazol-1-yl)propanoic acid is O=C(O)C(O)Cn1ccnn1.
What is the InChIKey of 2-hydroxy-3-(triazol-1-yl)propanoic acid?
The InChIKey is BQPHWTFSBPCNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O3/c9-4(5(10)11)3-8-2-1-6-7-8/h1-2,4,9H,3H2,(H,10,11).
What are the key properties of 2-hydroxy-3-(triazol-1-yl)propanoic acid?
2-hydroxy-3-(triazol-1-yl)propanoic acid has a molecular weight of 157.13 g/mol, XLogP of -1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(triazol-1-yl)propanoic acid is sourced from PubChem (CID 84650508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).