ethyl 5-[2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-1-(2-hydroxyethyl)-1,2,4-triazole-3-carboxylate

C14H24N4O5 — CID 118394709

IUPACethyl 5-[2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-1-(2-hydroxyethyl)-1,2,4-triazole-3-carboxylate
SMILESCCOC(=O)c1nc(CC(N)C(=O)OC(C)(C)C)n(CCO)n1
InChIInChI=1S/C14H24N4O5/c1-5-22-13(21)11-16-10(18(17-11)6-7-19)8-9(15)12(20)23-14(2,3)4/h9,19H,5-8,15H2,1-4H3
InChIKeyBCOATQZSSJUCEB-UHFFFAOYSA-N
MW328.37 g/mol
LogP-0.34
Rot. Bonds7

About ethyl 5-[2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-1-(2-hydroxyethyl)-1,2,4-triazole-3-carboxylate

ethyl 5-[2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-1-(2-hydroxyethyl)-1,2,4-triazole-3-carboxylate (PubChem CID 118394709) has the molecular formula C14H24N4O5 and a molecular weight of 328.37 g/mol. Its IUPAC name is ethyl 5-[2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-1-(2-hydroxyethyl)-1,2,4-triazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-1-(2-hydroxyethyl)-1,2,4-triazole-3-carboxylate
PubChem CID118394709
Molecular FormulaC14H24N4O5
Molecular Weight328.37 g/mol
Exact Mass328.17
IUPAC Nameethyl 5-[2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-1-(2-hydroxyethyl)-1,2,4-triazole-3-carboxylate
SMILESCCOC(=O)c1nc(CC(N)C(=O)OC(C)(C)C)n(CCO)n1
InChIInChI=1S/C14H24N4O5/c1-5-22-13(21)11-16-10(18(17-11)6-7-19)8-9(15)12(20)23-14(2,3)4/h9,19H,5-8,15H2,1-4H3
InChIKeyBCOATQZSSJUCEB-UHFFFAOYSA-N
XLogP-0.34
TPSA129.56 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze ethyl 5-[2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-1-(2-hydroxyethyl)-1,2,4-triazole-3-carboxylate 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 ethyl 5-[2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-1-(2-hydroxyethyl)-1,2,4-triazole-3-carboxylate?
The IUPAC name of ethyl 5-[2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-1-(2-hydroxyethyl)-1,2,4-triazole-3-carboxylate (CID 118394709) is ethyl 5-[2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-1-(2-hydroxyethyl)-1,2,4-triazole-3-carboxylate.
What is the SMILES notation for ethyl 5-[2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-1-(2-hydroxyethyl)-1,2,4-triazole-3-carboxylate?
The canonical SMILES for ethyl 5-[2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-1-(2-hydroxyethyl)-1,2,4-triazole-3-carboxylate is CCOC(=O)c1nc(CC(N)C(=O)OC(C)(C)C)n(CCO)n1.
What is the InChIKey of ethyl 5-[2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-1-(2-hydroxyethyl)-1,2,4-triazole-3-carboxylate?
The InChIKey is BCOATQZSSJUCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O5/c1-5-22-13(21)11-16-10(18(17-11)6-7-19)8-9(15)12(20)23-14(2,3)4/h9,19H,5-8,15H2,1-4H3.
What are the key properties of ethyl 5-[2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-1-(2-hydroxyethyl)-1,2,4-triazole-3-carboxylate?
ethyl 5-[2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-1-(2-hydroxyethyl)-1,2,4-triazole-3-carboxylate has a molecular weight of 328.37 g/mol, XLogP of -0.34, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-1-(2-hydroxyethyl)-1,2,4-triazole-3-carboxylate is sourced from PubChem (CID 118394709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).