(2R)-2-[1-(2H-triazol-4-yl)propan-2-yloxy]propanoic acid

C8H13N3O3 — CID 162717478

IUPAC(2R)-2-[1-(2H-triazol-4-yl)propan-2-yloxy]propanoic acid
SMILESCC(Cc1cn[nH]n1)O[C@H](C)C(=O)O
InChIInChI=1S/C8H13N3O3/c1-5(14-6(2)8(12)13)3-7-4-9-11-10-7/h4-6H,3H2,1-2H3,(H,12,13)(H,9,10,11)/t5?,6-/m1/s1
InChIKeyVUESSMBLESAOGT-PRJDIBJQSA-N
MW199.21 g/mol
LogP0.23
Rot. Bonds5

About (2R)-2-[1-(2H-triazol-4-yl)propan-2-yloxy]propanoic acid

(2R)-2-[1-(2H-triazol-4-yl)propan-2-yloxy]propanoic acid (PubChem CID 162717478) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is (2R)-2-[1-(2H-triazol-4-yl)propan-2-yloxy]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[1-(2H-triazol-4-yl)propan-2-yloxy]propanoic acid
PubChem CID162717478
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name(2R)-2-[1-(2H-triazol-4-yl)propan-2-yloxy]propanoic acid
SMILESCC(Cc1cn[nH]n1)O[C@H](C)C(=O)O
InChIInChI=1S/C8H13N3O3/c1-5(14-6(2)8(12)13)3-7-4-9-11-10-7/h4-6H,3H2,1-2H3,(H,12,13)(H,9,10,11)/t5?,6-/m1/s1
InChIKeyVUESSMBLESAOGT-PRJDIBJQSA-N
XLogP0.23
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[1-(2H-triazol-4-yl)propan-2-yloxy]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(2H-triazol-4-yl)propan-2-yloxy]propanoic acid?
The IUPAC name of (2R)-2-[1-(2H-triazol-4-yl)propan-2-yloxy]propanoic acid (CID 162717478) is (2R)-2-[1-(2H-triazol-4-yl)propan-2-yloxy]propanoic acid.
What is the SMILES notation for (2R)-2-[1-(2H-triazol-4-yl)propan-2-yloxy]propanoic acid?
The canonical SMILES for (2R)-2-[1-(2H-triazol-4-yl)propan-2-yloxy]propanoic acid is CC(Cc1cn[nH]n1)O[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-[1-(2H-triazol-4-yl)propan-2-yloxy]propanoic acid?
The InChIKey is VUESSMBLESAOGT-PRJDIBJQSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-5(14-6(2)8(12)13)3-7-4-9-11-10-7/h4-6H,3H2,1-2H3,(H,12,13)(H,9,10,11)/t5?,6-/m1/s1.
What are the key properties of (2R)-2-[1-(2H-triazol-4-yl)propan-2-yloxy]propanoic acid?
(2R)-2-[1-(2H-triazol-4-yl)propan-2-yloxy]propanoic acid has a molecular weight of 199.21 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(2H-triazol-4-yl)propan-2-yloxy]propanoic acid is sourced from PubChem (CID 162717478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).