methyl 5-(2-methoxy-2-oxoethyl)-1-[3-(methylamino)-3-oxopropyl]triazole-4-carboxylate

C11H16N4O5 — CID 102643142

IUPACmethyl 5-(2-methoxy-2-oxoethyl)-1-[3-(methylamino)-3-oxopropyl]triazole-4-carboxylate
SMILESCNC(=O)CCn1nnc(C(=O)OC)c1CC(=O)OC
InChIInChI=1S/C11H16N4O5/c1-12-8(16)4-5-15-7(6-9(17)19-2)10(13-14-15)11(18)20-3/h4-6H2,1-3H3,(H,12,16)
InChIKeyHKNCDWWAVYKPOD-UHFFFAOYSA-N
MW284.27 g/mol
LogP-1.08
Rot. Bonds6

About methyl 5-(2-methoxy-2-oxoethyl)-1-[3-(methylamino)-3-oxopropyl]triazole-4-carboxylate

methyl 5-(2-methoxy-2-oxoethyl)-1-[3-(methylamino)-3-oxopropyl]triazole-4-carboxylate (PubChem CID 102643142) has the molecular formula C11H16N4O5 and a molecular weight of 284.27 g/mol. Its IUPAC name is methyl 5-(2-methoxy-2-oxoethyl)-1-[3-(methylamino)-3-oxopropyl]triazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-methoxy-2-oxoethyl)-1-[3-(methylamino)-3-oxopropyl]triazole-4-carboxylate
PubChem CID102643142
Molecular FormulaC11H16N4O5
Molecular Weight284.27 g/mol
Exact Mass284.11
IUPAC Namemethyl 5-(2-methoxy-2-oxoethyl)-1-[3-(methylamino)-3-oxopropyl]triazole-4-carboxylate
SMILESCNC(=O)CCn1nnc(C(=O)OC)c1CC(=O)OC
InChIInChI=1S/C11H16N4O5/c1-12-8(16)4-5-15-7(6-9(17)19-2)10(13-14-15)11(18)20-3/h4-6H2,1-3H3,(H,12,16)
InChIKeyHKNCDWWAVYKPOD-UHFFFAOYSA-N
XLogP-1.08
TPSA112.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 5-1.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 5-(2-methoxy-2-oxoethyl)-1-[3-(methylamino)-3-oxopropyl]triazole-4-carboxylate 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 1-(3-fluoropropyl)-5-(2-methoxy-2-oxoethyl)triazole-4-carboxylate
CID 102643148
methyl 5-ethyl-1-[3-(methylcarbamoylamino)-3-oxopropyl]triazole-4-carboxylate
CID 103105645
ethyl 1-[3-(methylamino)-3-oxopropyl]-5-(2-methylpropyl)triazole-4-carboxylate
CID 103108220
methyl 1-(2-hydroxy-2-methylbutyl)-5-(2-methoxy-2-oxoethyl)triazole-4-carboxylate
CID 102643165
methyl 1-cycloheptyl-5-(2-methoxy-2-oxoethyl)triazole-4-carboxylate
CID 102643181
methyl 1-cyclohexyl-5-(2-methoxy-2-oxoethyl)triazole-4-carboxylate
CID 102643110
methyl 5-(2-methoxyethyl)-1-[3-oxo-3-(propan-2-ylamino)propyl]triazole-4-carboxylate
CID 102646194
methyl 5-ethyl-1-(2-hydroxyethyl)triazole-4-carboxylate
CID 103105718
methyl 1-[3-(cyclopropylamino)-3-oxopropyl]-5-(2-methoxyethyl)triazole-4-carboxylate
CID 102646195
methyl 1-[3-(methylamino)-3-oxopropyl]triazole-4-carboxylate
CID 103107579
3-(5-amino-4-methoxycarbonyltriazol-1-yl)propanoic acid
CID 82209045
5-(2-methoxyethyl)-1-[4-(methylamino)-4-oxobutyl]triazole-4-carboxylic acid
CID 102645788

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-methoxy-2-oxoethyl)-1-[3-(methylamino)-3-oxopropyl]triazole-4-carboxylate?
The IUPAC name of methyl 5-(2-methoxy-2-oxoethyl)-1-[3-(methylamino)-3-oxopropyl]triazole-4-carboxylate (CID 102643142) is methyl 5-(2-methoxy-2-oxoethyl)-1-[3-(methylamino)-3-oxopropyl]triazole-4-carboxylate.
What is the SMILES notation for methyl 5-(2-methoxy-2-oxoethyl)-1-[3-(methylamino)-3-oxopropyl]triazole-4-carboxylate?
The canonical SMILES for methyl 5-(2-methoxy-2-oxoethyl)-1-[3-(methylamino)-3-oxopropyl]triazole-4-carboxylate is CNC(=O)CCn1nnc(C(=O)OC)c1CC(=O)OC.
What is the InChIKey of methyl 5-(2-methoxy-2-oxoethyl)-1-[3-(methylamino)-3-oxopropyl]triazole-4-carboxylate?
The InChIKey is HKNCDWWAVYKPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O5/c1-12-8(16)4-5-15-7(6-9(17)19-2)10(13-14-15)11(18)20-3/h4-6H2,1-3H3,(H,12,16).
What are the key properties of methyl 5-(2-methoxy-2-oxoethyl)-1-[3-(methylamino)-3-oxopropyl]triazole-4-carboxylate?
methyl 5-(2-methoxy-2-oxoethyl)-1-[3-(methylamino)-3-oxopropyl]triazole-4-carboxylate has a molecular weight of 284.27 g/mol, XLogP of -1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-methoxy-2-oxoethyl)-1-[3-(methylamino)-3-oxopropyl]triazole-4-carboxylate is sourced from PubChem (CID 102643142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).