1-(2-amino-2-oxoethyl)-5-cyclopropyltriazole-4-carboxylic acid

C8H10N4O3 — CID 62053741

IUPAC1-(2-amino-2-oxoethyl)-5-cyclopropyltriazole-4-carboxylic acid
SMILESNC(=O)Cn1nnc(C(=O)O)c1C1CC1
InChIInChI=1S/C8H10N4O3/c9-5(13)3-12-7(4-1-2-4)6(8(14)15)10-11-12/h4H,1-3H2,(H2,9,13)(H,14,15)
InChIKeyOPLODVZOALFOJU-UHFFFAOYSA-N
MW210.19 g/mol
LogP-0.66
Rot. Bonds4

About 1-(2-amino-2-oxoethyl)-5-cyclopropyltriazole-4-carboxylic acid

1-(2-amino-2-oxoethyl)-5-cyclopropyltriazole-4-carboxylic acid (PubChem CID 62053741) has the molecular formula C8H10N4O3 and a molecular weight of 210.19 g/mol. Its IUPAC name is 1-(2-amino-2-oxoethyl)-5-cyclopropyltriazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-amino-2-oxoethyl)-5-cyclopropyltriazole-4-carboxylic acid
PubChem CID62053741
Molecular FormulaC8H10N4O3
Molecular Weight210.19 g/mol
Exact Mass210.08
IUPAC Name1-(2-amino-2-oxoethyl)-5-cyclopropyltriazole-4-carboxylic acid
SMILESNC(=O)Cn1nnc(C(=O)O)c1C1CC1
InChIInChI=1S/C8H10N4O3/c9-5(13)3-12-7(4-1-2-4)6(8(14)15)10-11-12/h4H,1-3H2,(H2,9,13)(H,14,15)
InChIKeyOPLODVZOALFOJU-UHFFFAOYSA-N
XLogP-0.66
TPSA111.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-oxoethyl)-5-cyclopropyltriazole-4-carboxylic acid?
The IUPAC name of 1-(2-amino-2-oxoethyl)-5-cyclopropyltriazole-4-carboxylic acid (CID 62053741) is 1-(2-amino-2-oxoethyl)-5-cyclopropyltriazole-4-carboxylic acid.
What is the SMILES notation for 1-(2-amino-2-oxoethyl)-5-cyclopropyltriazole-4-carboxylic acid?
The canonical SMILES for 1-(2-amino-2-oxoethyl)-5-cyclopropyltriazole-4-carboxylic acid is NC(=O)Cn1nnc(C(=O)O)c1C1CC1.
What is the InChIKey of 1-(2-amino-2-oxoethyl)-5-cyclopropyltriazole-4-carboxylic acid?
The InChIKey is OPLODVZOALFOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O3/c9-5(13)3-12-7(4-1-2-4)6(8(14)15)10-11-12/h4H,1-3H2,(H2,9,13)(H,14,15).
What are the key properties of 1-(2-amino-2-oxoethyl)-5-cyclopropyltriazole-4-carboxylic acid?
1-(2-amino-2-oxoethyl)-5-cyclopropyltriazole-4-carboxylic acid has a molecular weight of 210.19 g/mol, XLogP of -0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-oxoethyl)-5-cyclopropyltriazole-4-carboxylic acid is sourced from PubChem (CID 62053741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).