2-methyl-2-[(2-pyrazol-1-ylacetyl)amino]butanoic acid

C10H15N3O3 — CID 79792060

IUPAC2-methyl-2-[(2-pyrazol-1-ylacetyl)amino]butanoic acid
SMILESCCC(C)(NC(=O)Cn1cccn1)C(=O)O
InChIInChI=1S/C10H15N3O3/c1-3-10(2,9(15)16)12-8(14)7-13-6-4-5-11-13/h4-6H,3,7H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyBKYHAHUXDBIONF-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.25
Rot. Bonds5

About 2-methyl-2-[(2-pyrazol-1-ylacetyl)amino]butanoic acid

2-methyl-2-[(2-pyrazol-1-ylacetyl)amino]butanoic acid (PubChem CID 79792060) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-methyl-2-[(2-pyrazol-1-ylacetyl)amino]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(2-pyrazol-1-ylacetyl)amino]butanoic acid
PubChem CID79792060
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-methyl-2-[(2-pyrazol-1-ylacetyl)amino]butanoic acid
SMILESCCC(C)(NC(=O)Cn1cccn1)C(=O)O
InChIInChI=1S/C10H15N3O3/c1-3-10(2,9(15)16)12-8(14)7-13-6-4-5-11-13/h4-6H,3,7H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyBKYHAHUXDBIONF-UHFFFAOYSA-N
XLogP0.25
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2-[(2-pyrazol-1-ylacetyl)amino]butanoic acid
CID 79806989
2,2-dimethyl-3-[(2-pyrazol-1-ylacetyl)amino]propanoic acid
CID 81367964
N-[3-(aminomethyl)pentan-3-yl]-2-pyrazol-1-ylacetamide
CID 63889355
(2S)-2-[(2-pyrazol-1-ylacetyl)amino]hexanoic acid
CID 93057045
N-ethoxy-2-pyrazol-1-ylacetamide
CID 60700858
2-methyl-2-[[2-(4-oxoquinolin-1-yl)acetyl]amino]butanoic acid
CID 119199302
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-pyrazol-1-ylacetamide
CID 79252208
3-methyl-1-pyrazol-1-ylbutan-2-one
CID 59531413
3,3,3-trifluoro-2-methyl-2-(3-pyrazol-1-ylpropanoylamino)propanoic acid
CID 79795735
2-fluoro-2-methyl-3-pyrazol-1-ylpropanoic acid
CID 84654305
2-methyl-2-(pyrazol-1-ylmethylsulfanyl)propanoic acid
CID 107421591
2-methyl-2-[(2-propan-2-ylsulfanylacetyl)amino]butanoic acid
CID 79792644

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-pyrazol-1-ylacetyl)amino]butanoic acid?
The IUPAC name of 2-methyl-2-[(2-pyrazol-1-ylacetyl)amino]butanoic acid (CID 79792060) is 2-methyl-2-[(2-pyrazol-1-ylacetyl)amino]butanoic acid.
What is the SMILES notation for 2-methyl-2-[(2-pyrazol-1-ylacetyl)amino]butanoic acid?
The canonical SMILES for 2-methyl-2-[(2-pyrazol-1-ylacetyl)amino]butanoic acid is CCC(C)(NC(=O)Cn1cccn1)C(=O)O.
What is the InChIKey of 2-methyl-2-[(2-pyrazol-1-ylacetyl)amino]butanoic acid?
The InChIKey is BKYHAHUXDBIONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-3-10(2,9(15)16)12-8(14)7-13-6-4-5-11-13/h4-6H,3,7H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 2-methyl-2-[(2-pyrazol-1-ylacetyl)amino]butanoic acid?
2-methyl-2-[(2-pyrazol-1-ylacetyl)amino]butanoic acid has a molecular weight of 225.25 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-pyrazol-1-ylacetyl)amino]butanoic acid is sourced from PubChem (CID 79792060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).