3-[1-[2-(2-methylpyrazol-3-yl)propanoyl]piperidin-2-yl]propanoic acid

C15H23N3O3 — CID 122111368

IUPAC3-[1-[2-(2-methylpyrazol-3-yl)propanoyl]piperidin-2-yl]propanoic acid
SMILESCC(C(=O)N1CCCCC1CCC(=O)O)c1ccnn1C
InChIInChI=1S/C15H23N3O3/c1-11(13-8-9-16-17(13)2)15(21)18-10-4-3-5-12(18)6-7-14(19)20/h8-9,11-12H,3-7,10H2,1-2H3,(H,19,20)
InChIKeyITAGGYQCXGXVMK-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.77
Rot. Bonds5

About 3-[1-[2-(2-methylpyrazol-3-yl)propanoyl]piperidin-2-yl]propanoic acid

3-[1-[2-(2-methylpyrazol-3-yl)propanoyl]piperidin-2-yl]propanoic acid (PubChem CID 122111368) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-[1-[2-(2-methylpyrazol-3-yl)propanoyl]piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[2-(2-methylpyrazol-3-yl)propanoyl]piperidin-2-yl]propanoic acid
PubChem CID122111368
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name3-[1-[2-(2-methylpyrazol-3-yl)propanoyl]piperidin-2-yl]propanoic acid
SMILESCC(C(=O)N1CCCCC1CCC(=O)O)c1ccnn1C
InChIInChI=1S/C15H23N3O3/c1-11(13-8-9-16-17(13)2)15(21)18-10-4-3-5-12(18)6-7-14(19)20/h8-9,11-12H,3-7,10H2,1-2H3,(H,19,20)
InChIKeyITAGGYQCXGXVMK-UHFFFAOYSA-N
XLogP1.77
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2R)-1-[(2S)-2-(2-fluorophenyl)propanoyl]piperidin-2-yl]propanoic acid
CID 124689702
3-[(2R)-1-[(2R)-2-(2-fluorophenyl)propanoyl]piperidin-2-yl]propanoic acid
CID 124690812
(2S,3S)-2-methyl-1-[2-(2-methylpyrazol-3-yl)propanoyl]piperidine-3-carboxylic acid
CID 122116955
3-[(2S)-1-[(2S)-2-phenoxypropanoyl]piperidin-2-yl]propanoic acid
CID 124695958
3-[1-(3-amino-2-methylpropanoyl)piperidin-2-yl]propanoic acid
CID 62668947
3-[1-(2-phenylbutanoyl)piperidin-2-yl]propanoic acid
CID 120606666
3-[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-2-yl]propanoic acid
CID 62217813
3-amino-4-[2-(2-carboxyethyl)piperidin-1-yl]-4-oxobutanoic acid
CID 64895769
3-[1-(1-pyridin-4-ylethyl)piperidin-2-yl]propanoic acid
CID 65062430
3-[1-(2-methylsulfanylacetyl)piperidin-2-yl]propanoic acid
CID 62217465
3-[(2R)-1-[2-(methylamino)pyridine-3-carbonyl]piperidin-2-yl]propanoic acid
CID 126445582
3-[(2S)-1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-2-yl]propanoic acid
CID 124677189

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(2-methylpyrazol-3-yl)propanoyl]piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-[2-(2-methylpyrazol-3-yl)propanoyl]piperidin-2-yl]propanoic acid (CID 122111368) is 3-[1-[2-(2-methylpyrazol-3-yl)propanoyl]piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-[2-(2-methylpyrazol-3-yl)propanoyl]piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-[2-(2-methylpyrazol-3-yl)propanoyl]piperidin-2-yl]propanoic acid is CC(C(=O)N1CCCCC1CCC(=O)O)c1ccnn1C.
What is the InChIKey of 3-[1-[2-(2-methylpyrazol-3-yl)propanoyl]piperidin-2-yl]propanoic acid?
The InChIKey is ITAGGYQCXGXVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-11(13-8-9-16-17(13)2)15(21)18-10-4-3-5-12(18)6-7-14(19)20/h8-9,11-12H,3-7,10H2,1-2H3,(H,19,20).
What are the key properties of 3-[1-[2-(2-methylpyrazol-3-yl)propanoyl]piperidin-2-yl]propanoic acid?
3-[1-[2-(2-methylpyrazol-3-yl)propanoyl]piperidin-2-yl]propanoic acid has a molecular weight of 293.37 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(2-methylpyrazol-3-yl)propanoyl]piperidin-2-yl]propanoic acid is sourced from PubChem (CID 122111368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).