methyl 1-[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]triazole-4-carboxylate

C10H15N5O5 — CID 103698319

IUPACmethyl 1-[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]triazole-4-carboxylate
SMILESCOCCNC(=O)NC(=O)Cn1cc(C(=O)OC)nn1
InChIInChI=1S/C10H15N5O5/c1-19-4-3-11-10(18)12-8(16)6-15-5-7(13-14-15)9(17)20-2/h5H,3-4,6H2,1-2H3,(H2,11,12,16,18)
InChIKeyGUCREJIFYMFDNM-UHFFFAOYSA-N
MW285.26 g/mol
LogP-1.46
Rot. Bonds6

About methyl 1-[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]triazole-4-carboxylate

methyl 1-[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]triazole-4-carboxylate (PubChem CID 103698319) has the molecular formula C10H15N5O5 and a molecular weight of 285.26 g/mol. Its IUPAC name is methyl 1-[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]triazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]triazole-4-carboxylate
PubChem CID103698319
Molecular FormulaC10H15N5O5
Molecular Weight285.26 g/mol
Exact Mass285.11
IUPAC Namemethyl 1-[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]triazole-4-carboxylate
SMILESCOCCNC(=O)NC(=O)Cn1cc(C(=O)OC)nn1
InChIInChI=1S/C10H15N5O5/c1-19-4-3-11-10(18)12-8(16)6-15-5-7(13-14-15)9(17)20-2/h5H,3-4,6H2,1-2H3,(H2,11,12,16,18)
InChIKeyGUCREJIFYMFDNM-UHFFFAOYSA-N
XLogP-1.46
TPSA124.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 5-1.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

methyl 1-[2-(3-methylbutylcarbamoylamino)-2-oxoethyl]triazole-4-carboxylate
CID 103107669
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(2-methoxyethylcarbamoyl)acetamide
CID 81444598
methyl 1-[2-oxo-2-(propylamino)ethyl]triazole-4-carboxylate
CID 103642831
methyl 1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]triazole-4-carboxylate
CID 113247997
methyl 1-[2-oxo-2-(propan-2-ylamino)ethyl]triazole-4-carboxylate
CID 103642859
methyl 1-[2-(2-methoxyethoxy)ethyl]triazole-4-carboxylate
CID 104601014
methyl 1-[2-(4-acetamidoanilino)-2-oxoethyl]triazole-4-carboxylate
CID 122241471
methyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]triazole-4-carboxylate
CID 122241136
methyl 1-(3-fluoro-2-methylidenebut-3-enyl)triazole-4-carboxylate
CID 91336495
2-[4-(aminomethyl)triazol-1-yl]-N-(propylcarbamoyl)acetamide
CID 55029749
methyl 1-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]triazole-4-carboxylate
CID 44511232
methyl 1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]triazole-4-carboxylate
CID 122241487

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]triazole-4-carboxylate?
The IUPAC name of methyl 1-[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]triazole-4-carboxylate (CID 103698319) is methyl 1-[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]triazole-4-carboxylate.
What is the SMILES notation for methyl 1-[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]triazole-4-carboxylate?
The canonical SMILES for methyl 1-[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]triazole-4-carboxylate is COCCNC(=O)NC(=O)Cn1cc(C(=O)OC)nn1.
What is the InChIKey of methyl 1-[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]triazole-4-carboxylate?
The InChIKey is GUCREJIFYMFDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O5/c1-19-4-3-11-10(18)12-8(16)6-15-5-7(13-14-15)9(17)20-2/h5H,3-4,6H2,1-2H3,(H2,11,12,16,18).
What are the key properties of methyl 1-[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]triazole-4-carboxylate?
methyl 1-[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]triazole-4-carboxylate has a molecular weight of 285.26 g/mol, XLogP of -1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]triazole-4-carboxylate is sourced from PubChem (CID 103698319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).