3-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]propanoic acid

C15H23N3O2 — CID 62216303

IUPAC3-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]propanoic acid
SMILESCC(C)c1cc(N2CCCCC2CCC(=O)O)ncn1
InChIInChI=1S/C15H23N3O2/c1-11(2)13-9-14(17-10-16-13)18-8-4-3-5-12(18)6-7-15(19)20/h9-12H,3-8H2,1-2H3,(H,19,20)
InChIKeyLMNQTHZKYAJSMU-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.82
Rot. Bonds5

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

3-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]propanoic acid (PubChem CID 62216303) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]propanoic acid
PubChem CID62216303
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]propanoic acid
SMILESCC(C)c1cc(N2CCCCC2CCC(=O)O)ncn1
InChIInChI=1S/C15H23N3O2/c1-11(2)13-9-14(17-10-16-13)18-8-4-3-5-12(18)6-7-15(19)20/h9-12H,3-8H2,1-2H3,(H,19,20)
InChIKeyLMNQTHZKYAJSMU-UHFFFAOYSA-N
XLogP2.82
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(6-ethylpyrimidin-4-yl)piperidin-2-yl]propanoic acid
CID 62216304
(2S)-1-(6-propan-2-ylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 122059787
3-[1-(2-methylpyrimidin-4-yl)piperidin-2-yl]propanoic acid
CID 62785287
3-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]propanoic acid
CID 136958739
2-[1,1-dioxo-4-(6-propan-2-ylpyrimidin-4-yl)-1,4-thiazinan-3-yl]acetic acid
CID 80515256
2-methyl-1-(6-propan-2-ylpyrimidin-4-yl)piperidine-4-carboxylic acid
CID 106742662
methyl 1-(6-propan-2-ylpyrimidin-4-yl)pyrrolidine-2-carboxylate
CID 55031092
(2S)-2-[[6-[2-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]propanoic acid
CID 122049394
4-methyl-1-(6-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid
CID 114422399
2-[1-(6-propylpyrimidin-4-yl)piperidin-2-yl]acetic acid
CID 61240133
3-[1-(5-carbamoyl-2-pyridinyl)piperidin-2-yl]propanoic acid
CID 62217146
3-[[6-[2-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-methylamino]-2-methylpropanoic acid
CID 122064774

Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]propanoic acid (CID 62216303) is 3-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]propanoic acid is CC(C)c1cc(N2CCCCC2CCC(=O)O)ncn1.
What is the InChIKey of 3-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]propanoic acid?
The InChIKey is LMNQTHZKYAJSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11(2)13-9-14(17-10-16-13)18-8-4-3-5-12(18)6-7-15(19)20/h9-12H,3-8H2,1-2H3,(H,19,20).
What are the key properties of 3-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]propanoic acid?
3-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]propanoic acid has a molecular weight of 277.37 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]propanoic acid is sourced from PubChem (CID 62216303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).