2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-(2-methoxyethyl)amino]acetic acid

C11H18N4O4 — CID 55241137

IUPAC2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)c1c(C(N)=O)c(C)nn1C
InChIInChI=1S/C11H18N4O4/c1-7-9(10(12)18)11(14(2)13-7)15(4-5-19-3)6-8(16)17/h4-6H2,1-3H3,(H2,12,18)(H,16,17)
InChIKeyFTHABSLDXTYYJH-UHFFFAOYSA-N
MW270.29 g/mol
LogP-0.64
Rot. Bonds7

About 2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-(2-methoxyethyl)amino]acetic acid

2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-(2-methoxyethyl)amino]acetic acid (PubChem CID 55241137) has the molecular formula C11H18N4O4 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-(2-methoxyethyl)amino]acetic acid
PubChem CID55241137
Molecular FormulaC11H18N4O4
Molecular Weight270.29 g/mol
Exact Mass270.13
IUPAC Name2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)c1c(C(N)=O)c(C)nn1C
InChIInChI=1S/C11H18N4O4/c1-7-9(10(12)18)11(14(2)13-7)15(4-5-19-3)6-8(16)17/h4-6H2,1-3H3,(H2,12,18)(H,16,17)
InChIKeyFTHABSLDXTYYJH-UHFFFAOYSA-N
XLogP-0.64
TPSA110.68 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 ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-(2-methoxyethyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-(2-methoxyethyl)amino]acetic acid (CID 55241137) is 2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)c1c(C(N)=O)c(C)nn1C.
What is the InChIKey of 2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-(2-methoxyethyl)amino]acetic acid?
The InChIKey is FTHABSLDXTYYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4/c1-7-9(10(12)18)11(14(2)13-7)15(4-5-19-3)6-8(16)17/h4-6H2,1-3H3,(H2,12,18)(H,16,17).
What are the key properties of 2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-(2-methoxyethyl)amino]acetic acid?
2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-(2-methoxyethyl)amino]acetic acid has a molecular weight of 270.29 g/mol, XLogP of -0.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 55241137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).