2-methyl-2-[methyl(3-pyrazol-1-ylpropanoyl)amino]propanoic acid

C11H17N3O3 — CID 62817737

IUPAC2-methyl-2-[methyl(3-pyrazol-1-ylpropanoyl)amino]propanoic acid
SMILESCN(C(=O)CCn1cccn1)C(C)(C)C(=O)O
InChIInChI=1S/C11H17N3O3/c1-11(2,10(16)17)13(3)9(15)5-8-14-7-4-6-12-14/h4,6-7H,5,8H2,1-3H3,(H,16,17)
InChIKeyCLVQZNIHXRPHMA-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.59
Rot. Bonds5

About 2-methyl-2-[methyl(3-pyrazol-1-ylpropanoyl)amino]propanoic acid

2-methyl-2-[methyl(3-pyrazol-1-ylpropanoyl)amino]propanoic acid (PubChem CID 62817737) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-methyl-2-[methyl(3-pyrazol-1-ylpropanoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl(3-pyrazol-1-ylpropanoyl)amino]propanoic acid
PubChem CID62817737
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-methyl-2-[methyl(3-pyrazol-1-ylpropanoyl)amino]propanoic acid
SMILESCN(C(=O)CCn1cccn1)C(C)(C)C(=O)O
InChIInChI=1S/C11H17N3O3/c1-11(2,10(16)17)13(3)9(15)5-8-14-7-4-6-12-14/h4,6-7H,5,8H2,1-3H3,(H,16,17)
InChIKeyCLVQZNIHXRPHMA-UHFFFAOYSA-N
XLogP0.59
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[methyl(2-pyrazol-1-ylethylcarbamoyl)amino]propanoic acid
CID 62821667
2-[ethyl(2-pyrazol-1-ylethyl)amino]-2-methylpropanoic acid
CID 62822178
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-pyrazol-1-ylpropanamide
CID 79386729
N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-pyrazol-1-ylpropanamide
CID 54993303
2-[3-(1,3-dioxoisoindol-2-yl)propanoyl-methylamino]-2-methylpropanoic acid
CID 119199928
3,3,3-trifluoro-2-methyl-2-(3-pyrazol-1-ylpropanoylamino)propanoic acid
CID 79795735
methyl 4-[methyl(3-pyrazol-1-ylpropanoyl)amino]butanoate
CID 54942474
2-methyl-2-(2-pyrazol-1-ylethylsulfonyl)propanoic acid
CID 81229830
(2R)-3,3-dimethyl-2-(3-pyrazol-1-ylpropanoylamino)butanoic acid
CID 113353064
2-methyl-2-[methyl-[2-(1,2,4-triazol-1-yl)acetyl]amino]propanoic acid
CID 62817557
2-methyl-2-[methyl-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]propanoic acid
CID 62819020
2-methyl-2-(pyrazol-1-ylmethylsulfanyl)propanoic acid
CID 107421591

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl(3-pyrazol-1-ylpropanoyl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl(3-pyrazol-1-ylpropanoyl)amino]propanoic acid (CID 62817737) is 2-methyl-2-[methyl(3-pyrazol-1-ylpropanoyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl(3-pyrazol-1-ylpropanoyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl(3-pyrazol-1-ylpropanoyl)amino]propanoic acid is CN(C(=O)CCn1cccn1)C(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[methyl(3-pyrazol-1-ylpropanoyl)amino]propanoic acid?
The InChIKey is CLVQZNIHXRPHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-11(2,10(16)17)13(3)9(15)5-8-14-7-4-6-12-14/h4,6-7H,5,8H2,1-3H3,(H,16,17).
What are the key properties of 2-methyl-2-[methyl(3-pyrazol-1-ylpropanoyl)amino]propanoic acid?
2-methyl-2-[methyl(3-pyrazol-1-ylpropanoyl)amino]propanoic acid has a molecular weight of 239.27 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl(3-pyrazol-1-ylpropanoyl)amino]propanoic acid is sourced from PubChem (CID 62817737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).