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

C9H14N4O3 — CID 79831428

IUPACethyl 3-[[2-(triazol-1-yl)acetyl]amino]propanoate
SMILESCCOC(=O)CCNC(=O)Cn1ccnn1
InChIInChI=1S/C9H14N4O3/c1-2-16-9(15)3-4-10-8(14)7-13-6-5-11-12-13/h5-6H,2-4,7H2,1H3,(H,10,14)
InChIKeyXUAMNKYQVCIHAB-UHFFFAOYSA-N
MW226.24 g/mol
LogP-0.65
Rot. Bonds6

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

ethyl 3-[[2-(triazol-1-yl)acetyl]amino]propanoate (PubChem CID 79831428) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is ethyl 3-[[2-(triazol-1-yl)acetyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[2-(triazol-1-yl)acetyl]amino]propanoate
PubChem CID79831428
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Nameethyl 3-[[2-(triazol-1-yl)acetyl]amino]propanoate
SMILESCCOC(=O)CCNC(=O)Cn1ccnn1
InChIInChI=1S/C9H14N4O3/c1-2-16-9(15)3-4-10-8(14)7-13-6-5-11-12-13/h5-6H,2-4,7H2,1H3,(H,10,14)
InChIKeyXUAMNKYQVCIHAB-UHFFFAOYSA-N
XLogP-0.65
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 3-[[2-(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

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-(triazol-1-yl)acetyl]amino]propanoate?
The IUPAC name of ethyl 3-[[2-(triazol-1-yl)acetyl]amino]propanoate (CID 79831428) is ethyl 3-[[2-(triazol-1-yl)acetyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[[2-(triazol-1-yl)acetyl]amino]propanoate?
The canonical SMILES for ethyl 3-[[2-(triazol-1-yl)acetyl]amino]propanoate is CCOC(=O)CCNC(=O)Cn1ccnn1.
What is the InChIKey of ethyl 3-[[2-(triazol-1-yl)acetyl]amino]propanoate?
The InChIKey is XUAMNKYQVCIHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c1-2-16-9(15)3-4-10-8(14)7-13-6-5-11-12-13/h5-6H,2-4,7H2,1H3,(H,10,14).
What are the key properties of ethyl 3-[[2-(triazol-1-yl)acetyl]amino]propanoate?
ethyl 3-[[2-(triazol-1-yl)acetyl]amino]propanoate has a molecular weight of 226.24 g/mol, XLogP of -0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-(triazol-1-yl)acetyl]amino]propanoate is sourced from PubChem (CID 79831428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).