methyl 3-[ethyl-[2-(1,2,4-triazol-1-yl)acetyl]amino]propanoate

C10H16N4O3 — CID 54898636

IUPACmethyl 3-[ethyl-[2-(1,2,4-triazol-1-yl)acetyl]amino]propanoate
SMILESCCN(CCC(=O)OC)C(=O)Cn1cncn1
InChIInChI=1S/C10H16N4O3/c1-3-13(5-4-10(16)17-2)9(15)6-14-8-11-7-12-14/h7-8H,3-6H2,1-2H3
InChIKeyWBWQWCHMZBSUMT-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.31
Rot. Bonds6

About methyl 3-[ethyl-[2-(1,2,4-triazol-1-yl)acetyl]amino]propanoate

methyl 3-[ethyl-[2-(1,2,4-triazol-1-yl)acetyl]amino]propanoate (PubChem CID 54898636) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is methyl 3-[ethyl-[2-(1,2,4-triazol-1-yl)acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl-[2-(1,2,4-triazol-1-yl)acetyl]amino]propanoate
PubChem CID54898636
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Namemethyl 3-[ethyl-[2-(1,2,4-triazol-1-yl)acetyl]amino]propanoate
SMILESCCN(CCC(=O)OC)C(=O)Cn1cncn1
InChIInChI=1S/C10H16N4O3/c1-3-13(5-4-10(16)17-2)9(15)6-14-8-11-7-12-14/h7-8H,3-6H2,1-2H3
InChIKeyWBWQWCHMZBSUMT-UHFFFAOYSA-N
XLogP-0.31
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-[ethyl-[2-(1,2,4-triazol-1-yl)acetyl]amino]propanoate 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

methyl 2-[ethyl-[2-(1,2,4-triazol-1-yl)acetyl]amino]acetate
CID 55148837
methyl 3-[oxolan-2-ylmethyl-[2-(1,2,4-triazol-1-yl)acetyl]amino]propanoate
CID 78964017
methyl 3-(1,2,4-triazol-1-yl)propanoate;hydrochloride
CID 51051880
methyl 2-[propyl-[3-(1,2,4-triazol-1-yl)propanoyl]amino]acetate
CID 55005668
methyl 3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]-ethylamino]propanoate
CID 54899031
methyl 3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-ethylamino]propanoate
CID 61010746
methyl 3-[ethoxycarbonyl(ethyl)amino]propanoate
CID 61009915
methyl 3-[ethyl(3,3,3-trifluoropropanoyl)amino]propanoate
CID 61010157
3-[ethyl-[2-(tetrazol-1-yl)acetyl]amino]propanoic acid
CID 61007985
methyl 3-[carbonochloridoyl(ethyl)amino]propanoate
CID 20566212
methyl 3-[ethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoate
CID 54899461
methyl 3-[[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-ethylamino]propanoate
CID 61009768

Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl-[2-(1,2,4-triazol-1-yl)acetyl]amino]propanoate?
The IUPAC name of methyl 3-[ethyl-[2-(1,2,4-triazol-1-yl)acetyl]amino]propanoate (CID 54898636) is methyl 3-[ethyl-[2-(1,2,4-triazol-1-yl)acetyl]amino]propanoate.
What is the SMILES notation for methyl 3-[ethyl-[2-(1,2,4-triazol-1-yl)acetyl]amino]propanoate?
The canonical SMILES for methyl 3-[ethyl-[2-(1,2,4-triazol-1-yl)acetyl]amino]propanoate is CCN(CCC(=O)OC)C(=O)Cn1cncn1.
What is the InChIKey of methyl 3-[ethyl-[2-(1,2,4-triazol-1-yl)acetyl]amino]propanoate?
The InChIKey is WBWQWCHMZBSUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-3-13(5-4-10(16)17-2)9(15)6-14-8-11-7-12-14/h7-8H,3-6H2,1-2H3.
What are the key properties of methyl 3-[ethyl-[2-(1,2,4-triazol-1-yl)acetyl]amino]propanoate?
methyl 3-[ethyl-[2-(1,2,4-triazol-1-yl)acetyl]amino]propanoate has a molecular weight of 240.26 g/mol, XLogP of -0.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl-[2-(1,2,4-triazol-1-yl)acetyl]amino]propanoate is sourced from PubChem (CID 54898636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).