2-methyl-3-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]propanoic acid

C14H21N3O2 — CID 116900046

IUPAC2-methyl-3-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]propanoic acid
SMILESCC(Cc1nccc(C2CCCN(C)C2)n1)C(=O)O
InChIInChI=1S/C14H21N3O2/c1-10(14(18)19)8-13-15-6-5-12(16-13)11-4-3-7-17(2)9-11/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,18,19)
InChIKeyDMDHXMYPUQCUBC-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.55
Rot. Bonds4

About 2-methyl-3-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]propanoic acid

2-methyl-3-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]propanoic acid (PubChem CID 116900046) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-methyl-3-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]propanoic acid
PubChem CID116900046
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-methyl-3-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]propanoic acid
SMILESCC(Cc1nccc(C2CCCN(C)C2)n1)C(=O)O
InChIInChI=1S/C14H21N3O2/c1-10(14(18)19)8-13-15-6-5-12(16-13)11-4-3-7-17(2)9-11/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,18,19)
InChIKeyDMDHXMYPUQCUBC-UHFFFAOYSA-N
XLogP1.55
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]propan-1-amine
CID 116898301
2-methyl-1-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]propan-2-amine
CID 116898054
2-methyl-4-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]butan-2-amine
CID 116898479
3-[6-[(3S)-1-methylpiperidin-3-yl]-2-pyridinyl]propanoic acid
CID 95804855
3-[4-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]butanoic acid
CID 116899990
2-amino-3-(4-cyclohexylpyrimidin-2-yl)propanoic acid
CID 116902314
2-methyl-3-[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]propanoic acid
CID 116965792
3-methyl-1-[(3R)-3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]butan-1-one
CID 95093486
N,N-dimethyl-3-[6-[(3R)-1-methylpiperidin-3-yl]-2-pyridinyl]propanamide
CID 95842659
4-cyclopropyl-2-(2-methylpropyl)pyrimidine
CID 70659268
4-(1-methylpiperidin-3-yl)-2-piperazin-1-ylpyrimidine
CID 116900754
[1-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]cyclobutyl]methanamine
CID 116902705

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]propanoic acid?
The IUPAC name of 2-methyl-3-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]propanoic acid (CID 116900046) is 2-methyl-3-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]propanoic acid.
What is the SMILES notation for 2-methyl-3-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]propanoic acid?
The canonical SMILES for 2-methyl-3-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]propanoic acid is CC(Cc1nccc(C2CCCN(C)C2)n1)C(=O)O.
What is the InChIKey of 2-methyl-3-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]propanoic acid?
The InChIKey is DMDHXMYPUQCUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10(14(18)19)8-13-15-6-5-12(16-13)11-4-3-7-17(2)9-11/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,18,19).
What are the key properties of 2-methyl-3-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]propanoic acid?
2-methyl-3-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]propanoic acid has a molecular weight of 263.34 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]propanoic acid is sourced from PubChem (CID 116900046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).