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

C14H21N3O2 — CID 62216304

IUPAC3-[1-(6-ethylpyrimidin-4-yl)piperidin-2-yl]propanoic acid
SMILESCCc1cc(N2CCCCC2CCC(=O)O)ncn1
InChIInChI=1S/C14H21N3O2/c1-2-11-9-13(16-10-15-11)17-8-4-3-5-12(17)6-7-14(18)19/h9-10,12H,2-8H2,1H3,(H,18,19)
InChIKeyMDOGAKLHZLYICI-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.26
Rot. Bonds5

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

3-[1-(6-ethylpyrimidin-4-yl)piperidin-2-yl]propanoic acid (PubChem CID 62216304) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[1-(6-ethylpyrimidin-4-yl)piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(6-ethylpyrimidin-4-yl)piperidin-2-yl]propanoic acid
PubChem CID62216304
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-[1-(6-ethylpyrimidin-4-yl)piperidin-2-yl]propanoic acid
SMILESCCc1cc(N2CCCCC2CCC(=O)O)ncn1
InChIInChI=1S/C14H21N3O2/c1-2-11-9-13(16-10-15-11)17-8-4-3-5-12(17)6-7-14(18)19/h9-10,12H,2-8H2,1H3,(H,18,19)
InChIKeyMDOGAKLHZLYICI-UHFFFAOYSA-N
XLogP2.26
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(2-bromoethyl)piperidin-1-yl]-6-ethylpyrimidine
CID 80670776
3-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]propanoic acid
CID 62216303
[1-(6-ethylpyrimidin-4-yl)azepan-2-yl]methanol
CID 116636939
2-[1-(6-propylpyrimidin-4-yl)piperidin-2-yl]acetic acid
CID 61240133
3-[1-(2-methylpyrimidin-4-yl)piperidin-2-yl]propanoic acid
CID 62785287
N-[[1-(6-ethylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]cyclopropanamine
CID 62591990
3-[1-(5-carbamoyl-2-pyridinyl)piperidin-2-yl]propanoic acid
CID 62217146
1-[1-(6-ethylpyrimidin-4-yl)piperidin-2-yl]ethanamine
CID 63256097
3-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]propanoic acid
CID 136958739
N-[[1-(6-ethylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine
CID 55091054
[1-(6-propylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 61409380
4-[2-(2-bromoethyl)piperidin-1-yl]-6-ethoxypyrimidine
CID 80663054

Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-ethylpyrimidin-4-yl)piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-(6-ethylpyrimidin-4-yl)piperidin-2-yl]propanoic acid (CID 62216304) is 3-[1-(6-ethylpyrimidin-4-yl)piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-(6-ethylpyrimidin-4-yl)piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-(6-ethylpyrimidin-4-yl)piperidin-2-yl]propanoic acid is CCc1cc(N2CCCCC2CCC(=O)O)ncn1.
What is the InChIKey of 3-[1-(6-ethylpyrimidin-4-yl)piperidin-2-yl]propanoic acid?
The InChIKey is MDOGAKLHZLYICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-11-9-13(16-10-15-11)17-8-4-3-5-12(17)6-7-14(18)19/h9-10,12H,2-8H2,1H3,(H,18,19).
What are the key properties of 3-[1-(6-ethylpyrimidin-4-yl)piperidin-2-yl]propanoic acid?
3-[1-(6-ethylpyrimidin-4-yl)piperidin-2-yl]propanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6-ethylpyrimidin-4-yl)piperidin-2-yl]propanoic acid is sourced from PubChem (CID 62216304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).