2-hydroxy-3-((3,5-13C2,1,2,4-15N3)1,2,4-triazol-1-yl)propanoic acid

C5H7N3O3 — CID 162641085

IUPAC2-hydroxy-3-((3,5-13C2,1,2,4-15N3)1,2,4-triazol-1-yl)propanoic acid
SMILESO=C(O)C(O)C[15n]1[13cH][15n][13cH][15n]1
InChIInChI=1S/C5H7N3O3/c9-4(5(10)11)1-8-3-6-2-7-8/h2-4,9H,1H2,(H,10,11)/i2+1,3+1,6+1,7+1,8+1
InChIKeyKJRGHGWETVMENC-BLYOWHDWSA-N
MW162.09 g/mol
LogP-1.28
Rot. Bonds3

About 2-hydroxy-3-((3,5-13C2,1,2,4-15N3)1,2,4-triazol-1-yl)propanoic acid

2-hydroxy-3-((3,5-13C2,1,2,4-15N3)1,2,4-triazol-1-yl)propanoic acid (PubChem CID 162641085) has the molecular formula C5H7N3O3 and a molecular weight of 162.09 g/mol. Its IUPAC name is 2-hydroxy-3-((3,5-13C2,1,2,4-15N3)1,2,4-triazol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-((3,5-13C2,1,2,4-15N3)1,2,4-triazol-1-yl)propanoic acid
PubChem CID162641085
Molecular FormulaC5H7N3O3
Molecular Weight162.09 g/mol
Exact Mass162.05
IUPAC Name2-hydroxy-3-((3,5-13C2,1,2,4-15N3)1,2,4-triazol-1-yl)propanoic acid
SMILESO=C(O)C(O)C[15n]1[13cH][15n][13cH][15n]1
InChIInChI=1S/C5H7N3O3/c9-4(5(10)11)1-8-3-6-2-7-8/h2-4,9H,1H2,(H,10,11)/i2+1,3+1,6+1,7+1,8+1
InChIKeyKJRGHGWETVMENC-BLYOWHDWSA-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 ≤ 500162.09
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-hydroxy-3-((3,5-13C2,1,2,4-15N3)1,2,4-triazol-1-yl)propanoic acid with MolForge

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Related Compounds

2-Hydroxy-3-(1,2,4-triazol-1-yl)propanoic acid
CID 84650507
3-(1H-1,2,4-triazol-1-yl)propanoic acid
CID 565945
Triadimenol metabolite P08
CID 105428407
Triazole pyruvic acid
CID 138394751
Triadimenol metabolite P02
CID 139596520
Triadimenol metabolite P07
CID 139597511
Triazolyl-glycerine acid
CID 139597950
2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propanoic acid hydrochloride
CID 132300826
2-[2-Hydroxy-3-(1,2,4-triazol-1-yl)propoxy]propanedioic acid
CID 44367712
3-Azido-1-(2,3-dihydroxypropyl)-1,2,4-triazole
CID 23250694
3-(1H-1,2,4-Triazol-1-yl)-1,2-propanediol
CID 54482921
3-(3-Cyano-1,2,4-triazol-1-yl)-2-hydroxypropanoic acid
CID 130593512

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-((3,5-13C2,1,2,4-15N3)1,2,4-triazol-1-yl)propanoic acid?
The IUPAC name of 2-hydroxy-3-((3,5-13C2,1,2,4-15N3)1,2,4-triazol-1-yl)propanoic acid (CID 162641085) is 2-hydroxy-3-((3,5-13C2,1,2,4-15N3)1,2,4-triazol-1-yl)propanoic acid.
What is the SMILES notation for 2-hydroxy-3-((3,5-13C2,1,2,4-15N3)1,2,4-triazol-1-yl)propanoic acid?
The canonical SMILES for 2-hydroxy-3-((3,5-13C2,1,2,4-15N3)1,2,4-triazol-1-yl)propanoic acid is O=C(O)C(O)C[15n]1[13cH][15n][13cH][15n]1.
What is the InChIKey of 2-hydroxy-3-((3,5-13C2,1,2,4-15N3)1,2,4-triazol-1-yl)propanoic acid?
The InChIKey is KJRGHGWETVMENC-BLYOWHDWSA-N. The full InChI is InChI=1S/C5H7N3O3/c9-4(5(10)11)1-8-3-6-2-7-8/h2-4,9H,1H2,(H,10,11)/i2+1,3+1,6+1,7+1,8+1.
What are the key properties of 2-hydroxy-3-((3,5-13C2,1,2,4-15N3)1,2,4-triazol-1-yl)propanoic acid?
2-hydroxy-3-((3,5-13C2,1,2,4-15N3)1,2,4-triazol-1-yl)propanoic acid has a molecular weight of 162.09 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-((3,5-13C2,1,2,4-15N3)1,2,4-triazol-1-yl)propanoic acid is sourced from PubChem (CID 162641085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).