3-[(3R)-1-(2-amino-6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]propanoic acid

C15H20N6O2 — CID 164643150

IUPAC3-[(3R)-1-(2-amino-6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]propanoic acid
SMILESNc1nc(N2CCC[C@H](CCC(=O)O)C2)cc(-n2cccn2)n1
InChIInChI=1S/C15H20N6O2/c16-15-18-12(9-13(19-15)21-8-2-6-17-21)20-7-1-3-11(10-20)4-5-14(22)23/h2,6,8-9,11H,1,3-5,7,10H2,(H,22,23)(H2,16,18,19)/t11-/m1/s1
InChIKeyKSWLANLYGCKFGP-LLVKDONJSA-N
MW316.37 g/mol
LogP1.33
Rot. Bonds5

About 3-[(3R)-1-(2-amino-6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]propanoic acid

3-[(3R)-1-(2-amino-6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]propanoic acid (PubChem CID 164643150) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is 3-[(3R)-1-(2-amino-6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[(3R)-1-(2-amino-6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]propanoic acid
PubChem CID164643150
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name3-[(3R)-1-(2-amino-6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]propanoic acid
SMILESNc1nc(N2CCC[C@H](CCC(=O)O)C2)cc(-n2cccn2)n1
InChIInChI=1S/C15H20N6O2/c16-15-18-12(9-13(19-15)21-8-2-6-17-21)20-7-1-3-11(10-20)4-5-14(22)23/h2,6,8-9,11H,1,3-5,7,10H2,(H,22,23)(H2,16,18,19)/t11-/m1/s1
InChIKeyKSWLANLYGCKFGP-LLVKDONJSA-N
XLogP1.33
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-(2-amino-6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[(3R)-1-(2-amino-6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]propanoic acid (CID 164643150) is 3-[(3R)-1-(2-amino-6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[(3R)-1-(2-amino-6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[(3R)-1-(2-amino-6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]propanoic acid is Nc1nc(N2CCC[C@H](CCC(=O)O)C2)cc(-n2cccn2)n1.
What is the InChIKey of 3-[(3R)-1-(2-amino-6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]propanoic acid?
The InChIKey is KSWLANLYGCKFGP-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20N6O2/c16-15-18-12(9-13(19-15)21-8-2-6-17-21)20-7-1-3-11(10-20)4-5-14(22)23/h2,6,8-9,11H,1,3-5,7,10H2,(H,22,23)(H2,16,18,19)/t11-/m1/s1.
What are the key properties of 3-[(3R)-1-(2-amino-6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]propanoic acid?
3-[(3R)-1-(2-amino-6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]propanoic acid has a molecular weight of 316.37 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-(2-amino-6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 164643150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).