(2R)-2-hydroxy-3-(1,2,4-triazol-1-yl)propanoic acid

C5H7N3O3 — CID 137462784

IUPAC(2R)-2-hydroxy-3-(1,2,4-triazol-1-yl)propanoic acid
SMILESO=C(O)[C@H](O)Cn1cncn1
InChIInChI=1S/C5H7N3O3/c9-4(5(10)11)1-8-3-6-2-7-8/h2-4,9H,1H2,(H,10,11)/t4-/m1/s1
InChIKeyKJRGHGWETVMENC-SCSAIBSYSA-N
MW157.13 g/mol
LogP-1.28
Rot. Bonds3

About (2R)-2-hydroxy-3-(1,2,4-triazol-1-yl)propanoic acid

(2R)-2-hydroxy-3-(1,2,4-triazol-1-yl)propanoic acid (PubChem CID 137462784) has the molecular formula C5H7N3O3 and a molecular weight of 157.13 g/mol. Its IUPAC name is (2R)-2-hydroxy-3-(1,2,4-triazol-1-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-hydroxy-3-(1,2,4-triazol-1-yl)propanoic acid
PubChem CID137462784
Molecular FormulaC5H7N3O3
Molecular Weight157.13 g/mol
Exact Mass157.05
IUPAC Name(2R)-2-hydroxy-3-(1,2,4-triazol-1-yl)propanoic acid
SMILESO=C(O)[C@H](O)Cn1cncn1
InChIInChI=1S/C5H7N3O3/c9-4(5(10)11)1-8-3-6-2-7-8/h2-4,9H,1H2,(H,10,11)/t4-/m1/s1
InChIKeyKJRGHGWETVMENC-SCSAIBSYSA-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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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 (2R)-2-hydroxy-3-(1,2,4-triazol-1-yl)propanoic acid?
The IUPAC name of (2R)-2-hydroxy-3-(1,2,4-triazol-1-yl)propanoic acid (CID 137462784) is (2R)-2-hydroxy-3-(1,2,4-triazol-1-yl)propanoic acid.
What is the SMILES notation for (2R)-2-hydroxy-3-(1,2,4-triazol-1-yl)propanoic acid?
The canonical SMILES for (2R)-2-hydroxy-3-(1,2,4-triazol-1-yl)propanoic acid is O=C(O)[C@H](O)Cn1cncn1.
What is the InChIKey of (2R)-2-hydroxy-3-(1,2,4-triazol-1-yl)propanoic acid?
The InChIKey is KJRGHGWETVMENC-SCSAIBSYSA-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)/t4-/m1/s1.
What are the key properties of (2R)-2-hydroxy-3-(1,2,4-triazol-1-yl)propanoic acid?
(2R)-2-hydroxy-3-(1,2,4-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 (2R)-2-hydroxy-3-(1,2,4-triazol-1-yl)propanoic acid is sourced from PubChem (CID 137462784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).