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

C6H9N3O3 — CID 137463262

IUPAC(2R)-2-hydroxy-3-(3-methyl-1,2,4-triazol-1-yl)propanoic acid
SMILESCc1ncn(C[C@@H](O)C(=O)O)n1
InChIInChI=1S/C6H9N3O3/c1-4-7-3-9(8-4)2-5(10)6(11)12/h3,5,10H,2H2,1H3,(H,11,12)/t5-/m1/s1
InChIKeyXIEZNWRUBHEMNG-RXMQYKEDSA-N
MW171.16 g/mol
LogP-0.97
Rot. Bonds3

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

(2R)-2-hydroxy-3-(3-methyl-1,2,4-triazol-1-yl)propanoic acid (PubChem CID 137463262) has the molecular formula C6H9N3O3 and a molecular weight of 171.16 g/mol. Its IUPAC name is (2R)-2-hydroxy-3-(3-methyl-1,2,4-triazol-1-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-hydroxy-3-(3-methyl-1,2,4-triazol-1-yl)propanoic acid
PubChem CID137463262
Molecular FormulaC6H9N3O3
Molecular Weight171.16 g/mol
Exact Mass171.06
IUPAC Name(2R)-2-hydroxy-3-(3-methyl-1,2,4-triazol-1-yl)propanoic acid
SMILESCc1ncn(C[C@@H](O)C(=O)O)n1
InChIInChI=1S/C6H9N3O3/c1-4-7-3-9(8-4)2-5(10)6(11)12/h3,5,10H,2H2,1H3,(H,11,12)/t5-/m1/s1
InChIKeyXIEZNWRUBHEMNG-RXMQYKEDSA-N
XLogP-0.97
TPSA88.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-3-(3-methyl-1,2,4-triazol-1-yl)propanoic acid?
The IUPAC name of (2R)-2-hydroxy-3-(3-methyl-1,2,4-triazol-1-yl)propanoic acid (CID 137463262) is (2R)-2-hydroxy-3-(3-methyl-1,2,4-triazol-1-yl)propanoic acid.
What is the SMILES notation for (2R)-2-hydroxy-3-(3-methyl-1,2,4-triazol-1-yl)propanoic acid?
The canonical SMILES for (2R)-2-hydroxy-3-(3-methyl-1,2,4-triazol-1-yl)propanoic acid is Cc1ncn(C[C@@H](O)C(=O)O)n1.
What is the InChIKey of (2R)-2-hydroxy-3-(3-methyl-1,2,4-triazol-1-yl)propanoic acid?
The InChIKey is XIEZNWRUBHEMNG-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H9N3O3/c1-4-7-3-9(8-4)2-5(10)6(11)12/h3,5,10H,2H2,1H3,(H,11,12)/t5-/m1/s1.
What are the key properties of (2R)-2-hydroxy-3-(3-methyl-1,2,4-triazol-1-yl)propanoic acid?
(2R)-2-hydroxy-3-(3-methyl-1,2,4-triazol-1-yl)propanoic acid has a molecular weight of 171.16 g/mol, XLogP of -0.97, 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-(3-methyl-1,2,4-triazol-1-yl)propanoic acid is sourced from PubChem (CID 137463262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).