5-(methoxymethyl)-1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]triazole-4-carboxylic acid

C10H15N5O5 — CID 102643239

IUPAC5-(methoxymethyl)-1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]triazole-4-carboxylic acid
SMILESCNC(=O)NC(=O)C(C)n1nnc(C(=O)O)c1COC
InChIInChI=1S/C10H15N5O5/c1-5(8(16)12-10(19)11-2)15-6(4-20-3)7(9(17)18)13-14-15/h5H,4H2,1-3H3,(H,17,18)(H2,11,12,16,19)
InChIKeyORZFZLQQJXBMTE-UHFFFAOYSA-N
MW285.26 g/mol
LogP-0.86
Rot. Bonds5

About 5-(methoxymethyl)-1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]triazole-4-carboxylic acid

5-(methoxymethyl)-1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]triazole-4-carboxylic acid (PubChem CID 102643239) has the molecular formula C10H15N5O5 and a molecular weight of 285.26 g/mol. Its IUPAC name is 5-(methoxymethyl)-1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(methoxymethyl)-1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]triazole-4-carboxylic acid
PubChem CID102643239
Molecular FormulaC10H15N5O5
Molecular Weight285.26 g/mol
Exact Mass285.11
IUPAC Name5-(methoxymethyl)-1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]triazole-4-carboxylic acid
SMILESCNC(=O)NC(=O)C(C)n1nnc(C(=O)O)c1COC
InChIInChI=1S/C10H15N5O5/c1-5(8(16)12-10(19)11-2)15-6(4-20-3)7(9(17)18)13-14-15/h5H,4H2,1-3H3,(H,17,18)(H2,11,12,16,19)
InChIKeyORZFZLQQJXBMTE-UHFFFAOYSA-N
XLogP-0.86
TPSA135.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-(methoxymethyl)-1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]triazole-4-carboxylic acid
CID 102643290
1-[1-(tert-butylamino)-1-oxopropan-2-yl]-5-(methoxymethyl)triazole-4-carboxylic acid
CID 102643375
1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-5-(methoxymethyl)triazole-4-carboxylic acid
CID 102643245
1-(3-hydroxybutan-2-yl)-5-(methoxymethyl)triazole-4-carboxylic acid
CID 102643273
1-[1-(methylamino)-1-oxopropan-2-yl]-5-propyltriazole-4-carboxylic acid
CID 55030098
1-[1-(carbamoylamino)-1-oxopropan-2-yl]-5-propyltriazole-4-carboxylic acid
CID 62053728
1-[1-oxo-1-(propylamino)propan-2-yl]-5-propyltriazole-4-carboxylic acid
CID 62053727
5-ethyl-1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]triazole-4-carboxylic acid
CID 55029871
1-[1-(tert-butylamino)-1-oxopropan-2-yl]-5-(2-methylpropyl)triazole-4-carboxylic acid
CID 102645639
ethyl 1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]tetrazole-5-carboxylate
CID 79317381
1-[1-(butylamino)-1-oxopropan-2-yl]-5-propyltriazole-4-carboxylic acid
CID 62053896
1-tert-butyl-5-(methoxymethyl)triazole-4-carboxylic acid
CID 103482138

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]triazole-4-carboxylic acid?
The IUPAC name of 5-(methoxymethyl)-1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]triazole-4-carboxylic acid (CID 102643239) is 5-(methoxymethyl)-1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]triazole-4-carboxylic acid.
What is the SMILES notation for 5-(methoxymethyl)-1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]triazole-4-carboxylic acid?
The canonical SMILES for 5-(methoxymethyl)-1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]triazole-4-carboxylic acid is CNC(=O)NC(=O)C(C)n1nnc(C(=O)O)c1COC.
What is the InChIKey of 5-(methoxymethyl)-1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]triazole-4-carboxylic acid?
The InChIKey is ORZFZLQQJXBMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O5/c1-5(8(16)12-10(19)11-2)15-6(4-20-3)7(9(17)18)13-14-15/h5H,4H2,1-3H3,(H,17,18)(H2,11,12,16,19).
What are the key properties of 5-(methoxymethyl)-1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]triazole-4-carboxylic acid?
5-(methoxymethyl)-1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]triazole-4-carboxylic acid has a molecular weight of 285.26 g/mol, XLogP of -0.86, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]triazole-4-carboxylic acid is sourced from PubChem (CID 102643239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).