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

C11H17N3O3 — CID 79806989

IUPAC2-ethyl-2-[(2-pyrazol-1-ylacetyl)amino]butanoic acid
SMILESCCC(CC)(NC(=O)Cn1cccn1)C(=O)O
InChIInChI=1S/C11H17N3O3/c1-3-11(4-2,10(16)17)13-9(15)8-14-7-5-6-12-14/h5-7H,3-4,8H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyMBHSYYOXRUDQRC-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.64
Rot. Bonds6

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

2-ethyl-2-[(2-pyrazol-1-ylacetyl)amino]butanoic acid (PubChem CID 79806989) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-ethyl-2-[(2-pyrazol-1-ylacetyl)amino]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[(2-pyrazol-1-ylacetyl)amino]butanoic acid
PubChem CID79806989
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-ethyl-2-[(2-pyrazol-1-ylacetyl)amino]butanoic acid
SMILESCCC(CC)(NC(=O)Cn1cccn1)C(=O)O
InChIInChI=1S/C11H17N3O3/c1-3-11(4-2,10(16)17)13-9(15)8-14-7-5-6-12-14/h5-7H,3-4,8H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyMBHSYYOXRUDQRC-UHFFFAOYSA-N
XLogP0.64
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[(2-pyrazol-1-ylacetyl)amino]butanoic acid
CID 79792060
N-[3-(aminomethyl)pentan-3-yl]-2-pyrazol-1-ylacetamide
CID 63889355
2,2-dimethyl-3-[(2-pyrazol-1-ylacetyl)amino]propanoic acid
CID 81367964
2-ethyl-2-(methylamino)-5-pyrazol-1-ylpentanoic acid
CID 106806593
N-ethoxy-2-pyrazol-1-ylacetamide
CID 60700858
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-2-ethylbutanoic acid
CID 79807385
ethane;1-pyrazol-1-ylpropan-2-one
CID 143096298
(2S)-2-[(2-pyrazol-1-ylacetyl)amino]hexanoic acid
CID 93057045
N-(2,2-difluoro-3-hydroxypropyl)-2-pyrazol-1-ylacetamide
CID 104857616
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-pyrazol-1-ylacetamide
CID 79252208
3,3,3-trifluoro-2-methyl-2-(3-pyrazol-1-ylpropanoylamino)propanoic acid
CID 79795735
3-methyl-1-pyrazol-1-ylbutan-2-one
CID 59531413

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(2-pyrazol-1-ylacetyl)amino]butanoic acid?
The IUPAC name of 2-ethyl-2-[(2-pyrazol-1-ylacetyl)amino]butanoic acid (CID 79806989) is 2-ethyl-2-[(2-pyrazol-1-ylacetyl)amino]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[(2-pyrazol-1-ylacetyl)amino]butanoic acid?
The canonical SMILES for 2-ethyl-2-[(2-pyrazol-1-ylacetyl)amino]butanoic acid is CCC(CC)(NC(=O)Cn1cccn1)C(=O)O.
What is the InChIKey of 2-ethyl-2-[(2-pyrazol-1-ylacetyl)amino]butanoic acid?
The InChIKey is MBHSYYOXRUDQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-3-11(4-2,10(16)17)13-9(15)8-14-7-5-6-12-14/h5-7H,3-4,8H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 2-ethyl-2-[(2-pyrazol-1-ylacetyl)amino]butanoic acid?
2-ethyl-2-[(2-pyrazol-1-ylacetyl)amino]butanoic acid has a molecular weight of 239.27 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(2-pyrazol-1-ylacetyl)amino]butanoic acid is sourced from PubChem (CID 79806989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).