2-methyl-2-[1-(5-methylpyrimidin-2-yl)piperidin-3-yl]propanoic acid

C14H21N3O2 — CID 83197656

IUPAC2-methyl-2-[1-(5-methylpyrimidin-2-yl)piperidin-3-yl]propanoic acid
SMILESCc1cnc(N2CCCC(C(C)(C)C(=O)O)C2)nc1
InChIInChI=1S/C14H21N3O2/c1-10-7-15-13(16-8-10)17-6-4-5-11(9-17)14(2,3)12(18)19/h7-8,11H,4-6,9H2,1-3H3,(H,18,19)
InChIKeyAJNRNVOLWIICSM-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.11
Rot. Bonds3

About 2-methyl-2-[1-(5-methylpyrimidin-2-yl)piperidin-3-yl]propanoic acid

2-methyl-2-[1-(5-methylpyrimidin-2-yl)piperidin-3-yl]propanoic acid (PubChem CID 83197656) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-methyl-2-[1-(5-methylpyrimidin-2-yl)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[1-(5-methylpyrimidin-2-yl)piperidin-3-yl]propanoic acid
PubChem CID83197656
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-methyl-2-[1-(5-methylpyrimidin-2-yl)piperidin-3-yl]propanoic acid
SMILESCc1cnc(N2CCCC(C(C)(C)C(=O)O)C2)nc1
InChIInChI=1S/C14H21N3O2/c1-10-7-15-13(16-8-10)17-6-4-5-11(9-17)14(2,3)12(18)19/h7-8,11H,4-6,9H2,1-3H3,(H,18,19)
InChIKeyAJNRNVOLWIICSM-UHFFFAOYSA-N
XLogP2.11
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[1-(5-methylpyrimidin-2-yl)piperidin-3-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[1-(5-methylpyrimidin-2-yl)piperidin-3-yl]propanoic acid (CID 83197656) is 2-methyl-2-[1-(5-methylpyrimidin-2-yl)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[1-(5-methylpyrimidin-2-yl)piperidin-3-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[1-(5-methylpyrimidin-2-yl)piperidin-3-yl]propanoic acid is Cc1cnc(N2CCCC(C(C)(C)C(=O)O)C2)nc1.
What is the InChIKey of 2-methyl-2-[1-(5-methylpyrimidin-2-yl)piperidin-3-yl]propanoic acid?
The InChIKey is AJNRNVOLWIICSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10-7-15-13(16-8-10)17-6-4-5-11(9-17)14(2,3)12(18)19/h7-8,11H,4-6,9H2,1-3H3,(H,18,19).
What are the key properties of 2-methyl-2-[1-(5-methylpyrimidin-2-yl)piperidin-3-yl]propanoic acid?
2-methyl-2-[1-(5-methylpyrimidin-2-yl)piperidin-3-yl]propanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.11, 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-(5-methylpyrimidin-2-yl)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 83197656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).