ethyl 3-hydroxy-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]butanoate

C11H20N4O3 — CID 103251262

IUPACethyl 3-hydroxy-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]butanoate
SMILESCCOC(=O)CC(O)CNCCc1nncn1C
InChIInChI=1S/C11H20N4O3/c1-3-18-11(17)6-9(16)7-12-5-4-10-14-13-8-15(10)2/h8-9,12,16H,3-7H2,1-2H3
InChIKeyWVKUFDOXIMOODN-UHFFFAOYSA-N
MW256.31 g/mol
LogP-0.74
Rot. Bonds8

About ethyl 3-hydroxy-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]butanoate

ethyl 3-hydroxy-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]butanoate (PubChem CID 103251262) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is ethyl 3-hydroxy-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]butanoate.

Molecular Properties

Compound Nameethyl 3-hydroxy-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]butanoate
PubChem CID103251262
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC Nameethyl 3-hydroxy-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]butanoate
SMILESCCOC(=O)CC(O)CNCCc1nncn1C
InChIInChI=1S/C11H20N4O3/c1-3-18-11(17)6-9(16)7-12-5-4-10-14-13-8-15(10)2/h8-9,12,16H,3-7H2,1-2H3
InChIKeyWVKUFDOXIMOODN-UHFFFAOYSA-N
XLogP-0.74
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethyl 3-hydroxy-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]butanoate with MolForge

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

Launch Full Analysis

Related Compounds

3-Hydroxy-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]butanoic acid
CID 63330437
Methyl 4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]butanoate
CID 63332792
4-[2-(4-Methyl-1,2,4-triazol-3-yl)ethylamino]butanoic acid
CID 63332793
3-Hydroxy-3-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]butanoic acid
CID 66002045
2-[4-[(2-Propyl-1,2,4-triazol-3-yl)methyl]morpholin-2-yl]acetic acid
CID 66433294
2-[4-[(2-Ethyl-1,2,4-triazol-3-yl)methyl]morpholin-2-yl]acetic acid
CID 66433870
2-[4-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]morpholin-2-yl]acetic acid
CID 66434126
2-[4-[(4-Methyl-1,2,4-triazol-3-yl)methylcarbamoyl]morpholin-2-yl]acetic acid
CID 66434690
2-[4-[(2-Methyl-1,2,4-triazol-3-yl)methyl]morpholin-2-yl]acetic acid
CID 66434855
2-[4-[1-(4-Methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]morpholin-2-yl]acetic acid
CID 66434881
2-[4-[2-(4-Methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]morpholin-2-yl]acetic acid
CID 66435859
4-[2-(1-Methyl-1,2,4-triazol-3-yl)ethylamino]butanoic acid
CID 80682754

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]butanoate?
The IUPAC name of ethyl 3-hydroxy-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]butanoate (CID 103251262) is ethyl 3-hydroxy-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]butanoate.
What is the SMILES notation for ethyl 3-hydroxy-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]butanoate?
The canonical SMILES for ethyl 3-hydroxy-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]butanoate is CCOC(=O)CC(O)CNCCc1nncn1C.
What is the InChIKey of ethyl 3-hydroxy-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]butanoate?
The InChIKey is WVKUFDOXIMOODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3/c1-3-18-11(17)6-9(16)7-12-5-4-10-14-13-8-15(10)2/h8-9,12,16H,3-7H2,1-2H3.
What are the key properties of ethyl 3-hydroxy-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]butanoate?
ethyl 3-hydroxy-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]butanoate has a molecular weight of 256.31 g/mol, XLogP of -0.74, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]butanoate is sourced from PubChem (CID 103251262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).