4-oxo-4-(2-pyrazol-1-ylethylamino)butanoic acid

C9H13N3O3 — CID 61460027

IUPAC4-oxo-4-(2-pyrazol-1-ylethylamino)butanoic acid
SMILESO=C(O)CCC(=O)NCCn1cccn1
InChIInChI=1S/C9H13N3O3/c13-8(2-3-9(14)15)10-5-7-12-6-1-4-11-12/h1,4,6H,2-3,5,7H2,(H,10,13)(H,14,15)
InChIKeyZJVXOATVFJUUKK-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.14
Rot. Bonds6

About 4-oxo-4-(2-pyrazol-1-ylethylamino)butanoic acid

4-oxo-4-(2-pyrazol-1-ylethylamino)butanoic acid (PubChem CID 61460027) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 4-oxo-4-(2-pyrazol-1-ylethylamino)butanoic acid.

Molecular Properties

Compound Name4-oxo-4-(2-pyrazol-1-ylethylamino)butanoic acid
PubChem CID61460027
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name4-oxo-4-(2-pyrazol-1-ylethylamino)butanoic acid
SMILESO=C(O)CCC(=O)NCCn1cccn1
InChIInChI=1S/C9H13N3O3/c13-8(2-3-9(14)15)10-5-7-12-6-1-4-11-12/h1,4,6H,2-3,5,7H2,(H,10,13)(H,14,15)
InChIKeyZJVXOATVFJUUKK-UHFFFAOYSA-N
XLogP-0.14
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-oxo-4-(2-pyrazol-1-ylethylamino)butanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

3-(tert-butylamino)-N-(2-pyrazol-1-ylethyl)propanamide
CID 54951704
2-(2-pyrazol-1-ylethylcarbamoylamino)acetic acid
CID 61461230
2-[1-[2-oxo-2-(2-pyrazol-1-ylethylamino)ethyl]cyclohexyl]acetic acid
CID 61459546
1-methyl-3-(2-pyrazol-1-ylethyl)urea
CID 23548396
2-chloro-N-(2-pyrazol-1-ylethylcarbamoyl)acetamide
CID 61461806
4-(methylamino)-N-(3-pyrazol-1-ylpropyl)butanamide
CID 115738303
4-amino-N-(3-pyrazol-1-ylpropyl)butanamide;hydrochloride
CID 119281865
3-pyrazol-1-yl-N-(2-sulfamoylethyl)propanamide
CID 61130673
9-pyrazol-1-ylnonanoic acid;hydrate
CID 67940849
1,1-diethyl-3-(2-pyrazol-1-ylethyl)urea
CID 115629319
7-amino-N-(3-pyrazol-1-ylpropyl)heptanamide;hydrochloride
CID 119709906
2-(1-aminocyclopentyl)-N-(2-pyrazol-1-ylethyl)acetamide
CID 64677819

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-(2-pyrazol-1-ylethylamino)butanoic acid?
The IUPAC name of 4-oxo-4-(2-pyrazol-1-ylethylamino)butanoic acid (CID 61460027) is 4-oxo-4-(2-pyrazol-1-ylethylamino)butanoic acid.
What is the SMILES notation for 4-oxo-4-(2-pyrazol-1-ylethylamino)butanoic acid?
The canonical SMILES for 4-oxo-4-(2-pyrazol-1-ylethylamino)butanoic acid is O=C(O)CCC(=O)NCCn1cccn1.
What is the InChIKey of 4-oxo-4-(2-pyrazol-1-ylethylamino)butanoic acid?
The InChIKey is ZJVXOATVFJUUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c13-8(2-3-9(14)15)10-5-7-12-6-1-4-11-12/h1,4,6H,2-3,5,7H2,(H,10,13)(H,14,15).
What are the key properties of 4-oxo-4-(2-pyrazol-1-ylethylamino)butanoic acid?
4-oxo-4-(2-pyrazol-1-ylethylamino)butanoic acid has a molecular weight of 211.22 g/mol, XLogP of -0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-(2-pyrazol-1-ylethylamino)butanoic acid is sourced from PubChem (CID 61460027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).