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

C9H14N4O3 — CID 55148837

IUPACmethyl 2-[ethyl-[2-(1,2,4-triazol-1-yl)acetyl]amino]acetate
SMILESCCN(CC(=O)OC)C(=O)Cn1cncn1
InChIInChI=1S/C9H14N4O3/c1-3-12(5-9(15)16-2)8(14)4-13-7-10-6-11-13/h6-7H,3-5H2,1-2H3
InChIKeyIKKKBDGGPFSTJK-UHFFFAOYSA-N
MW226.24 g/mol
LogP-0.70
Rot. Bonds5

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

methyl 2-[ethyl-[2-(1,2,4-triazol-1-yl)acetyl]amino]acetate (PubChem CID 55148837) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is methyl 2-[ethyl-[2-(1,2,4-triazol-1-yl)acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[ethyl-[2-(1,2,4-triazol-1-yl)acetyl]amino]acetate
PubChem CID55148837
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Namemethyl 2-[ethyl-[2-(1,2,4-triazol-1-yl)acetyl]amino]acetate
SMILESCCN(CC(=O)OC)C(=O)Cn1cncn1
InChIInChI=1S/C9H14N4O3/c1-3-12(5-9(15)16-2)8(14)4-13-7-10-6-11-13/h6-7H,3-5H2,1-2H3
InChIKeyIKKKBDGGPFSTJK-UHFFFAOYSA-N
XLogP-0.70
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-0.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[ethyl-[2-(1,2,4-triazol-1-yl)acetyl]amino]acetate 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 3-[ethyl-[2-(1,2,4-triazol-1-yl)acetyl]amino]propanoate
CID 54898636
methyl 2-[propyl-[3-(1,2,4-triazol-1-yl)propanoyl]amino]acetate
CID 55005668
methyl 3-[oxolan-2-ylmethyl-[2-(1,2,4-triazol-1-yl)acetyl]amino]propanoate
CID 78964017
ethyl 4-[ethyl-(2-methoxy-2-oxoethyl)amino]-4-oxobutanoate
CID 54979582
methyl 3-(1,2,4-triazol-1-yl)propanoate;hydrochloride
CID 51051880
methyl 2-[propyl-[2-(1,2,4-triazol-1-yl)propanoyl]amino]acetate
CID 55005715
N-[2-(4-chloroanilino)-2-oxoethyl]-N-propyl-2-(1,2,4-triazol-1-yl)acetamide
CID 56805253
methyl 2-[ethyl-[2-(2-methylindol-1-yl)acetyl]amino]acetate
CID 61383658
2-methyl-2-[methyl-[2-(1,2,4-triazol-1-yl)acetyl]amino]propanoic acid
CID 62817557
N-(piperidin-3-ylmethyl)-N-propyl-2-(1,2,4-triazol-1-yl)acetamide
CID 106628190
N-(4-aminocyclohexyl)-N-ethyl-2-(1,2,4-triazol-1-yl)acetamide
CID 79115940
methyl 2-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]acetate
CID 61383689

Frequently Asked Questions

What is the IUPAC name of methyl 2-[ethyl-[2-(1,2,4-triazol-1-yl)acetyl]amino]acetate?
The IUPAC name of methyl 2-[ethyl-[2-(1,2,4-triazol-1-yl)acetyl]amino]acetate (CID 55148837) is methyl 2-[ethyl-[2-(1,2,4-triazol-1-yl)acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[ethyl-[2-(1,2,4-triazol-1-yl)acetyl]amino]acetate?
The canonical SMILES for methyl 2-[ethyl-[2-(1,2,4-triazol-1-yl)acetyl]amino]acetate is CCN(CC(=O)OC)C(=O)Cn1cncn1.
What is the InChIKey of methyl 2-[ethyl-[2-(1,2,4-triazol-1-yl)acetyl]amino]acetate?
The InChIKey is IKKKBDGGPFSTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c1-3-12(5-9(15)16-2)8(14)4-13-7-10-6-11-13/h6-7H,3-5H2,1-2H3.
What are the key properties of methyl 2-[ethyl-[2-(1,2,4-triazol-1-yl)acetyl]amino]acetate?
methyl 2-[ethyl-[2-(1,2,4-triazol-1-yl)acetyl]amino]acetate has a molecular weight of 226.24 g/mol, XLogP of -0.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[ethyl-[2-(1,2,4-triazol-1-yl)acetyl]amino]acetate is sourced from PubChem (CID 55148837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).