2-methyl-2-(1-pyrimidin-4-ylpiperidin-3-yl)propanoic acid

C13H19N3O2 — CID 83197349

IUPAC2-methyl-2-(1-pyrimidin-4-ylpiperidin-3-yl)propanoic acid
SMILESCC(C)(C(=O)O)C1CCCN(c2ccncn2)C1
InChIInChI=1S/C13H19N3O2/c1-13(2,12(17)18)10-4-3-7-16(8-10)11-5-6-14-9-15-11/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,18)
InChIKeyKXKRITTYZFNOAP-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.80
Rot. Bonds3

About 2-methyl-2-(1-pyrimidin-4-ylpiperidin-3-yl)propanoic acid

2-methyl-2-(1-pyrimidin-4-ylpiperidin-3-yl)propanoic acid (PubChem CID 83197349) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-methyl-2-(1-pyrimidin-4-ylpiperidin-3-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(1-pyrimidin-4-ylpiperidin-3-yl)propanoic acid
PubChem CID83197349
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-methyl-2-(1-pyrimidin-4-ylpiperidin-3-yl)propanoic acid
SMILESCC(C)(C(=O)O)C1CCCN(c2ccncn2)C1
InChIInChI=1S/C13H19N3O2/c1-13(2,12(17)18)10-4-3-7-16(8-10)11-5-6-14-9-15-11/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,18)
InChIKeyKXKRITTYZFNOAP-UHFFFAOYSA-N
XLogP1.80
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-tert-butylpiperidin-1-yl)pyrimidine
CID 58394793
2-methyl-2-[1-(3-nitro-4-pyridinyl)piperidin-3-yl]propanoic acid
CID 83199130
2-methyl-2-[1-(5-methylpyrimidin-2-yl)piperidin-3-yl]propanoic acid
CID 83197656
2-[1-(4-cyano-3-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83197124
N-ethyl-1-pyrimidin-4-ylpiperidin-3-amine
CID 78945406
2-[1-(2-cyano-4-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83197733
2-methyl-2-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]propanoic acid
CID 136972363
methyl 2-[1-(5-bromo-2-pyridinyl)piperidin-3-yl]-2-methylpropanoate
CID 133444478
2-[1-(3-chloro-4-cyano-2-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid
CID 107056581
2-[1-(4-cyano-6-methyl-2-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid
CID 114765581
2-[1-(4-cyanopyridazin-3-yl)piperidin-3-yl]-2-methylpropanoic acid
CID 83197968
2-methyl-2-[1-(5-nitro-1,3-thiazol-2-yl)piperidin-3-yl]propanoic acid
CID 102769991

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1-pyrimidin-4-ylpiperidin-3-yl)propanoic acid?
The IUPAC name of 2-methyl-2-(1-pyrimidin-4-ylpiperidin-3-yl)propanoic acid (CID 83197349) is 2-methyl-2-(1-pyrimidin-4-ylpiperidin-3-yl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(1-pyrimidin-4-ylpiperidin-3-yl)propanoic acid?
The canonical SMILES for 2-methyl-2-(1-pyrimidin-4-ylpiperidin-3-yl)propanoic acid is CC(C)(C(=O)O)C1CCCN(c2ccncn2)C1.
What is the InChIKey of 2-methyl-2-(1-pyrimidin-4-ylpiperidin-3-yl)propanoic acid?
The InChIKey is KXKRITTYZFNOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-13(2,12(17)18)10-4-3-7-16(8-10)11-5-6-14-9-15-11/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,18).
What are the key properties of 2-methyl-2-(1-pyrimidin-4-ylpiperidin-3-yl)propanoic acid?
2-methyl-2-(1-pyrimidin-4-ylpiperidin-3-yl)propanoic acid has a molecular weight of 249.31 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1-pyrimidin-4-ylpiperidin-3-yl)propanoic acid is sourced from PubChem (CID 83197349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).