4-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-hydroxy-3-methylbutanoic acid

C13H21N3O4 — CID 66001106

IUPAC4-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-hydroxy-3-methylbutanoic acid
SMILESCc1cc(C)n(CCC(=O)NCC(C)(O)CC(=O)O)n1
InChIInChI=1S/C13H21N3O4/c1-9-6-10(2)16(15-9)5-4-11(17)14-8-13(3,20)7-12(18)19/h6,20H,4-5,7-8H2,1-3H3,(H,14,17)(H,18,19)
InChIKeyXXKDGWGPYLUPPN-UHFFFAOYSA-N
MW283.33 g/mol
LogP0.23
Rot. Bonds7

About 4-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-hydroxy-3-methylbutanoic acid

4-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-hydroxy-3-methylbutanoic acid (PubChem CID 66001106) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-hydroxy-3-methylbutanoic acid.

Molecular Properties

Compound Name4-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-hydroxy-3-methylbutanoic acid
PubChem CID66001106
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name4-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-hydroxy-3-methylbutanoic acid
SMILESCc1cc(C)n(CCC(=O)NCC(C)(O)CC(=O)O)n1
InChIInChI=1S/C13H21N3O4/c1-9-6-10(2)16(15-9)5-4-11(17)14-8-13(3,20)7-12(18)19/h6,20H,4-5,7-8H2,1-3H3,(H,14,17)(H,18,19)
InChIKeyXXKDGWGPYLUPPN-UHFFFAOYSA-N
XLogP0.23
TPSA104.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-hydroxy-3-methylbutanoic 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-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-methylbutanoic acid
CID 64670513
N-(2,3-dihydroxy-2-methylpropyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 66170031
3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxypropyl)propanamide
CID 43418241
1-[[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115445107
3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-2,2-dimethylpropanoic acid
CID 81368159
2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-hydroxypropanoic acid
CID 43357762
2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoylamino]acetic acid
CID 113363032
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pentanamide
CID 71782926
1-(2,2-dimethylpropyl)-3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]urea
CID 110747708
N-(2,6-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 19553862
3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propanamide
CID 19550281
N-(4-amino-2,6-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 28540908

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-hydroxy-3-methylbutanoic acid?
The IUPAC name of 4-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-hydroxy-3-methylbutanoic acid (CID 66001106) is 4-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-hydroxy-3-methylbutanoic acid.
What is the SMILES notation for 4-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-hydroxy-3-methylbutanoic acid?
The canonical SMILES for 4-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-hydroxy-3-methylbutanoic acid is Cc1cc(C)n(CCC(=O)NCC(C)(O)CC(=O)O)n1.
What is the InChIKey of 4-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-hydroxy-3-methylbutanoic acid?
The InChIKey is XXKDGWGPYLUPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-9-6-10(2)16(15-9)5-4-11(17)14-8-13(3,20)7-12(18)19/h6,20H,4-5,7-8H2,1-3H3,(H,14,17)(H,18,19).
What are the key properties of 4-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-hydroxy-3-methylbutanoic acid?
4-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-hydroxy-3-methylbutanoic acid has a molecular weight of 283.33 g/mol, XLogP of 0.23, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-hydroxy-3-methylbutanoic acid is sourced from PubChem (CID 66001106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).