3-[(2R)-1-(2-pyrazol-1-ylacetyl)piperidin-2-yl]propanoic acid

C13H19N3O3 — CID 94373970

IUPAC3-[(2R)-1-(2-pyrazol-1-ylacetyl)piperidin-2-yl]propanoic acid
SMILESO=C(O)CC[C@H]1CCCCN1C(=O)Cn1cccn1
InChIInChI=1S/C13H19N3O3/c17-12(10-15-8-3-7-14-15)16-9-2-1-4-11(16)5-6-13(18)19/h3,7-8,11H,1-2,4-6,9-10H2,(H,18,19)/t11-/m1/s1
InChIKeyLWESFESYPDWGQM-LLVKDONJSA-N
MW265.31 g/mol
LogP1.13
Rot. Bonds5

About 3-[(2R)-1-(2-pyrazol-1-ylacetyl)piperidin-2-yl]propanoic acid

3-[(2R)-1-(2-pyrazol-1-ylacetyl)piperidin-2-yl]propanoic acid (PubChem CID 94373970) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-[(2R)-1-(2-pyrazol-1-ylacetyl)piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[(2R)-1-(2-pyrazol-1-ylacetyl)piperidin-2-yl]propanoic acid
PubChem CID94373970
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name3-[(2R)-1-(2-pyrazol-1-ylacetyl)piperidin-2-yl]propanoic acid
SMILESO=C(O)CC[C@H]1CCCCN1C(=O)Cn1cccn1
InChIInChI=1S/C13H19N3O3/c17-12(10-15-8-3-7-14-15)16-9-2-1-4-11(16)5-6-13(18)19/h3,7-8,11H,1-2,4-6,9-10H2,(H,18,19)/t11-/m1/s1
InChIKeyLWESFESYPDWGQM-LLVKDONJSA-N
XLogP1.13
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 61410629
1-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 96539682
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-pyrazol-1-ylethanone
CID 42886235
3-[(2R)-1-(4-pyrazol-1-ylbenzoyl)piperidin-2-yl]propanoic acid
CID 124701383
1-[2-(1-aminoethyl)piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 63255447
1-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 96579347
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethanone
CID 90653270
3-[1-(2-methylsulfanylacetyl)piperidin-2-yl]propanoic acid
CID 62217465
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 95348225
3-(1-octanoylpiperidin-2-yl)propanoic acid
CID 62216598
3-[1-(2-ethoxyacetyl)piperidin-2-yl]propanoic acid
CID 62217281
3-[1-(2-pyridin-4-ylsulfanylacetyl)piperidin-2-yl]propanoic acid
CID 62217286

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-(2-pyrazol-1-ylacetyl)piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[(2R)-1-(2-pyrazol-1-ylacetyl)piperidin-2-yl]propanoic acid (CID 94373970) is 3-[(2R)-1-(2-pyrazol-1-ylacetyl)piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[(2R)-1-(2-pyrazol-1-ylacetyl)piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[(2R)-1-(2-pyrazol-1-ylacetyl)piperidin-2-yl]propanoic acid is O=C(O)CC[C@H]1CCCCN1C(=O)Cn1cccn1.
What is the InChIKey of 3-[(2R)-1-(2-pyrazol-1-ylacetyl)piperidin-2-yl]propanoic acid?
The InChIKey is LWESFESYPDWGQM-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19N3O3/c17-12(10-15-8-3-7-14-15)16-9-2-1-4-11(16)5-6-13(18)19/h3,7-8,11H,1-2,4-6,9-10H2,(H,18,19)/t11-/m1/s1.
What are the key properties of 3-[(2R)-1-(2-pyrazol-1-ylacetyl)piperidin-2-yl]propanoic acid?
3-[(2R)-1-(2-pyrazol-1-ylacetyl)piperidin-2-yl]propanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-(2-pyrazol-1-ylacetyl)piperidin-2-yl]propanoic acid is sourced from PubChem (CID 94373970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).