ethyl 1-(2-amino-2-oxoethyl)-5-propan-2-yltriazole-4-carboxylate

C10H16N4O3 — CID 103105248

IUPACethyl 1-(2-amino-2-oxoethyl)-5-propan-2-yltriazole-4-carboxylate
SMILESCCOC(=O)c1nnn(CC(N)=O)c1C(C)C
InChIInChI=1S/C10H16N4O3/c1-4-17-10(16)8-9(6(2)3)14(13-12-8)5-7(11)15/h6H,4-5H2,1-3H3,(H2,11,15)
InChIKeySXJQLMKJZRFPBZ-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.06
Rot. Bonds5

About ethyl 1-(2-amino-2-oxoethyl)-5-propan-2-yltriazole-4-carboxylate

ethyl 1-(2-amino-2-oxoethyl)-5-propan-2-yltriazole-4-carboxylate (PubChem CID 103105248) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is ethyl 1-(2-amino-2-oxoethyl)-5-propan-2-yltriazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-amino-2-oxoethyl)-5-propan-2-yltriazole-4-carboxylate
PubChem CID103105248
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Nameethyl 1-(2-amino-2-oxoethyl)-5-propan-2-yltriazole-4-carboxylate
SMILESCCOC(=O)c1nnn(CC(N)=O)c1C(C)C
InChIInChI=1S/C10H16N4O3/c1-4-17-10(16)8-9(6(2)3)14(13-12-8)5-7(11)15/h6H,4-5H2,1-3H3,(H2,11,15)
InChIKeySXJQLMKJZRFPBZ-UHFFFAOYSA-N
XLogP0.06
TPSA100.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 1-(2-amino-2-oxoethyl)-5-propan-2-yltriazole-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

ethyl 1-(2-amino-2-oxoethyl)-5-(difluoromethyl)triazole-4-carboxylate
CID 102644879
ethyl 1-[2-(methylamino)-2-oxoethyl]-5-propan-2-yltriazole-4-carboxylate
CID 103105359
ethyl 1-(2-ethyl-2-hydroxybutyl)-5-propan-2-yltriazole-4-carboxylate
CID 103105311
ethyl 1-[(4-bromophenyl)methyl]-5-propan-2-yltriazole-4-carboxylate
CID 103105270
ethyl 1-[(5-oxopyrrolidin-2-yl)methyl]-5-propan-2-yltriazole-4-carboxylate
CID 107530787
ethyl 5-propan-2-yl-1-(pyridin-2-ylmethyl)triazole-4-carboxylate
CID 103105342
ethyl 5-propan-2-yl-1-(pyridin-3-ylmethyl)triazole-4-carboxylate
CID 103105296
ethyl 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5-propan-2-yltriazole-4-carboxylate
CID 103105189
methyl 1-[2-oxo-2-(propan-2-ylamino)ethyl]-5-propan-2-yltriazole-4-carboxylate
CID 102644010
ethyl 1-(3-hydroxy-2-methylpropyl)-5-methyltriazole-4-carboxylate
CID 103105050
ethyl 1-(2-ethylcyclohexyl)-5-propan-2-yltriazole-4-carboxylate
CID 103105252
ethyl 1-(4-ethylcyclohexyl)-5-propan-2-yltriazole-4-carboxylate
CID 103105218

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-amino-2-oxoethyl)-5-propan-2-yltriazole-4-carboxylate?
The IUPAC name of ethyl 1-(2-amino-2-oxoethyl)-5-propan-2-yltriazole-4-carboxylate (CID 103105248) is ethyl 1-(2-amino-2-oxoethyl)-5-propan-2-yltriazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(2-amino-2-oxoethyl)-5-propan-2-yltriazole-4-carboxylate?
The canonical SMILES for ethyl 1-(2-amino-2-oxoethyl)-5-propan-2-yltriazole-4-carboxylate is CCOC(=O)c1nnn(CC(N)=O)c1C(C)C.
What is the InChIKey of ethyl 1-(2-amino-2-oxoethyl)-5-propan-2-yltriazole-4-carboxylate?
The InChIKey is SXJQLMKJZRFPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-4-17-10(16)8-9(6(2)3)14(13-12-8)5-7(11)15/h6H,4-5H2,1-3H3,(H2,11,15).
What are the key properties of ethyl 1-(2-amino-2-oxoethyl)-5-propan-2-yltriazole-4-carboxylate?
ethyl 1-(2-amino-2-oxoethyl)-5-propan-2-yltriazole-4-carboxylate has a molecular weight of 240.26 g/mol, XLogP of 0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-amino-2-oxoethyl)-5-propan-2-yltriazole-4-carboxylate is sourced from PubChem (CID 103105248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).