ethyl 2-hydroxy-3-(1,2,4-triazol-1-yl)propanoate

C7H11N3O3 — CID 151338284

IUPACethyl 2-hydroxy-3-(1,2,4-triazol-1-yl)propanoate
SMILESCCOC(=O)C(O)Cn1cncn1
InChIInChI=1S/C7H11N3O3/c1-2-13-7(12)6(11)3-10-5-8-4-9-10/h4-6,11H,2-3H2,1H3
InChIKeyOJXMPVOKHRGGGT-UHFFFAOYSA-N
MW185.18 g/mol
LogP-0.80
Rot. Bonds4

About ethyl 2-hydroxy-3-(1,2,4-triazol-1-yl)propanoate

ethyl 2-hydroxy-3-(1,2,4-triazol-1-yl)propanoate (PubChem CID 151338284) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is ethyl 2-hydroxy-3-(1,2,4-triazol-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-hydroxy-3-(1,2,4-triazol-1-yl)propanoate
PubChem CID151338284
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Nameethyl 2-hydroxy-3-(1,2,4-triazol-1-yl)propanoate
SMILESCCOC(=O)C(O)Cn1cncn1
InChIInChI=1S/C7H11N3O3/c1-2-13-7(12)6(11)3-10-5-8-4-9-10/h4-6,11H,2-3H2,1H3
InChIKeyOJXMPVOKHRGGGT-UHFFFAOYSA-N
XLogP-0.80
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-3-(1,2,4-triazol-1-yl)propanoate?
The IUPAC name of ethyl 2-hydroxy-3-(1,2,4-triazol-1-yl)propanoate (CID 151338284) is ethyl 2-hydroxy-3-(1,2,4-triazol-1-yl)propanoate.
What is the SMILES notation for ethyl 2-hydroxy-3-(1,2,4-triazol-1-yl)propanoate?
The canonical SMILES for ethyl 2-hydroxy-3-(1,2,4-triazol-1-yl)propanoate is CCOC(=O)C(O)Cn1cncn1.
What is the InChIKey of ethyl 2-hydroxy-3-(1,2,4-triazol-1-yl)propanoate?
The InChIKey is OJXMPVOKHRGGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3/c1-2-13-7(12)6(11)3-10-5-8-4-9-10/h4-6,11H,2-3H2,1H3.
What are the key properties of ethyl 2-hydroxy-3-(1,2,4-triazol-1-yl)propanoate?
ethyl 2-hydroxy-3-(1,2,4-triazol-1-yl)propanoate has a molecular weight of 185.18 g/mol, XLogP of -0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-3-(1,2,4-triazol-1-yl)propanoate is sourced from PubChem (CID 151338284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).