2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-ethylamino]-2-methylpropanoic acid

C12H20N4O3 — CID 55241712

IUPAC2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-ethylamino]-2-methylpropanoic acid
SMILESCCN(c1c(C(N)=O)c(C)nn1C)C(C)(C)C(=O)O
InChIInChI=1S/C12H20N4O3/c1-6-16(12(3,4)11(18)19)10-8(9(13)17)7(2)14-15(10)5/h6H2,1-5H3,(H2,13,17)(H,18,19)
InChIKeyFDHOUMVLTJHZTA-UHFFFAOYSA-N
MW268.32 g/mol
LogP0.52
Rot. Bonds5

About 2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-ethylamino]-2-methylpropanoic acid

2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-ethylamino]-2-methylpropanoic acid (PubChem CID 55241712) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-ethylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-ethylamino]-2-methylpropanoic acid
PubChem CID55241712
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-ethylamino]-2-methylpropanoic acid
SMILESCCN(c1c(C(N)=O)c(C)nn1C)C(C)(C)C(=O)O
InChIInChI=1S/C12H20N4O3/c1-6-16(12(3,4)11(18)19)10-8(9(13)17)7(2)14-15(10)5/h6H2,1-5H3,(H2,13,17)(H,18,19)
InChIKeyFDHOUMVLTJHZTA-UHFFFAOYSA-N
XLogP0.52
TPSA101.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-ethylamino]-2-methylpropanoic 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)-ethylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-ethylamino]-2-methylpropanoic acid (CID 55241712) is 2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-ethylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-ethylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-ethylamino]-2-methylpropanoic acid is CCN(c1c(C(N)=O)c(C)nn1C)C(C)(C)C(=O)O.
What is the InChIKey of 2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-ethylamino]-2-methylpropanoic acid?
The InChIKey is FDHOUMVLTJHZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-6-16(12(3,4)11(18)19)10-8(9(13)17)7(2)14-15(10)5/h6H2,1-5H3,(H2,13,17)(H,18,19).
What are the key properties of 2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-ethylamino]-2-methylpropanoic acid?
2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-ethylamino]-2-methylpropanoic acid has a molecular weight of 268.32 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-ethylamino]-2-methylpropanoic acid is sourced from PubChem (CID 55241712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).