1-[2-(2-methoxyethylamino)-2-oxoethyl]-5-propan-2-yltriazole-4-carboxylic acid

C11H18N4O4 — CID 55029958

IUPAC1-[2-(2-methoxyethylamino)-2-oxoethyl]-5-propan-2-yltriazole-4-carboxylic acid
SMILESCOCCNC(=O)Cn1nnc(C(=O)O)c1C(C)C
InChIInChI=1S/C11H18N4O4/c1-7(2)10-9(11(17)18)13-14-15(10)6-8(16)12-4-5-19-3/h7H,4-6H2,1-3H3,(H,12,16)(H,17,18)
InChIKeyARTWBFPIDJMJOC-UHFFFAOYSA-N
MW270.29 g/mol
LogP-0.14
Rot. Bonds7

About 1-[2-(2-methoxyethylamino)-2-oxoethyl]-5-propan-2-yltriazole-4-carboxylic acid

1-[2-(2-methoxyethylamino)-2-oxoethyl]-5-propan-2-yltriazole-4-carboxylic acid (PubChem CID 55029958) has the molecular formula C11H18N4O4 and a molecular weight of 270.29 g/mol. Its IUPAC name is 1-[2-(2-methoxyethylamino)-2-oxoethyl]-5-propan-2-yltriazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-methoxyethylamino)-2-oxoethyl]-5-propan-2-yltriazole-4-carboxylic acid
PubChem CID55029958
Molecular FormulaC11H18N4O4
Molecular Weight270.29 g/mol
Exact Mass270.13
IUPAC Name1-[2-(2-methoxyethylamino)-2-oxoethyl]-5-propan-2-yltriazole-4-carboxylic acid
SMILESCOCCNC(=O)Cn1nnc(C(=O)O)c1C(C)C
InChIInChI=1S/C11H18N4O4/c1-7(2)10-9(11(17)18)13-14-15(10)6-8(16)12-4-5-19-3/h7H,4-6H2,1-3H3,(H,12,16)(H,17,18)
InChIKeyARTWBFPIDJMJOC-UHFFFAOYSA-N
XLogP-0.14
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethylamino)-2-oxoethyl]-5-propan-2-yltriazole-4-carboxylic acid?
The IUPAC name of 1-[2-(2-methoxyethylamino)-2-oxoethyl]-5-propan-2-yltriazole-4-carboxylic acid (CID 55029958) is 1-[2-(2-methoxyethylamino)-2-oxoethyl]-5-propan-2-yltriazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-(2-methoxyethylamino)-2-oxoethyl]-5-propan-2-yltriazole-4-carboxylic acid?
The canonical SMILES for 1-[2-(2-methoxyethylamino)-2-oxoethyl]-5-propan-2-yltriazole-4-carboxylic acid is COCCNC(=O)Cn1nnc(C(=O)O)c1C(C)C.
What is the InChIKey of 1-[2-(2-methoxyethylamino)-2-oxoethyl]-5-propan-2-yltriazole-4-carboxylic acid?
The InChIKey is ARTWBFPIDJMJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4/c1-7(2)10-9(11(17)18)13-14-15(10)6-8(16)12-4-5-19-3/h7H,4-6H2,1-3H3,(H,12,16)(H,17,18).
What are the key properties of 1-[2-(2-methoxyethylamino)-2-oxoethyl]-5-propan-2-yltriazole-4-carboxylic acid?
1-[2-(2-methoxyethylamino)-2-oxoethyl]-5-propan-2-yltriazole-4-carboxylic acid has a molecular weight of 270.29 g/mol, XLogP of -0.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethylamino)-2-oxoethyl]-5-propan-2-yltriazole-4-carboxylic acid is sourced from PubChem (CID 55029958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).