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

C10H16N4O4 — CID 113247997

IUPACmethyl 1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]triazole-4-carboxylate
SMILESCOCC(C)NC(=O)Cn1cc(C(=O)OC)nn1
InChIInChI=1S/C10H16N4O4/c1-7(6-17-2)11-9(15)5-14-4-8(12-13-14)10(16)18-3/h4,7H,5-6H2,1-3H3,(H,11,15)
InChIKeyGUWMKKWURCGSPH-UHFFFAOYSA-N
MW256.26 g/mol
LogP-0.78
Rot. Bonds6

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

methyl 1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]triazole-4-carboxylate (PubChem CID 113247997) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is methyl 1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]triazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]triazole-4-carboxylate
PubChem CID113247997
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC Namemethyl 1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]triazole-4-carboxylate
SMILESCOCC(C)NC(=O)Cn1cc(C(=O)OC)nn1
InChIInChI=1S/C10H16N4O4/c1-7(6-17-2)11-9(15)5-14-4-8(12-13-14)10(16)18-3/h4,7H,5-6H2,1-3H3,(H,11,15)
InChIKeyGUWMKKWURCGSPH-UHFFFAOYSA-N
XLogP-0.78
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 1-[2-oxo-2-(propan-2-ylamino)ethyl]triazole-4-carboxylate
CID 103642859
methyl 1-[2-(heptan-2-ylamino)-2-oxoethyl]triazole-4-carboxylate
CID 103720880
2-[4-(1-methoxypropan-2-ylcarbamoyl)triazol-1-yl]acetic acid
CID 66290810
N-(1-methoxypropan-2-yl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide
CID 66194550
methyl 1-[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]triazole-4-carboxylate
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methyl 4-amino-1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]pyrazole-3-carboxylate
CID 107344614
methyl 1-[2-oxo-2-(propylamino)ethyl]triazole-4-carboxylate
CID 103642831
methyl 1-[2-(2-methoxyethoxy)ethyl]triazole-4-carboxylate
CID 104601014
methyl 1-[2-(3-methylbutylcarbamoylamino)-2-oxoethyl]triazole-4-carboxylate
CID 103107669
methyl 1-(3-fluoro-2-methylidenebut-3-enyl)triazole-4-carboxylate
CID 91336495
methyl 1-[2-(4-acetamidoanilino)-2-oxoethyl]triazole-4-carboxylate
CID 122241471
methyl 1-(1-methoxypropan-2-yl)triazole-4-carboxylate
CID 103108011

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]triazole-4-carboxylate?
The IUPAC name of methyl 1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]triazole-4-carboxylate (CID 113247997) is methyl 1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]triazole-4-carboxylate.
What is the SMILES notation for methyl 1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]triazole-4-carboxylate?
The canonical SMILES for methyl 1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]triazole-4-carboxylate is COCC(C)NC(=O)Cn1cc(C(=O)OC)nn1.
What is the InChIKey of methyl 1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]triazole-4-carboxylate?
The InChIKey is GUWMKKWURCGSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4/c1-7(6-17-2)11-9(15)5-14-4-8(12-13-14)10(16)18-3/h4,7H,5-6H2,1-3H3,(H,11,15).
What are the key properties of methyl 1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]triazole-4-carboxylate?
methyl 1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]triazole-4-carboxylate has a molecular weight of 256.26 g/mol, XLogP of -0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]triazole-4-carboxylate is sourced from PubChem (CID 113247997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).