3-[6-[(3R)-1-propan-2-ylpiperidin-3-yl]-2-pyridinyl]propanoic acid

C16H24N2O2 — CID 124938907

IUPAC3-[6-[(3R)-1-propan-2-ylpiperidin-3-yl]-2-pyridinyl]propanoic acid
SMILESCC(C)N1CCC[C@@H](c2cccc(CCC(=O)O)n2)C1
InChIInChI=1S/C16H24N2O2/c1-12(2)18-10-4-5-13(11-18)15-7-3-6-14(17-15)8-9-16(19)20/h3,6-7,12-13H,4-5,8-11H2,1-2H3,(H,19,20)/t13-/m1/s1
InChIKeyYUMGKPCMJVBXDU-CYBMUJFWSA-N
MW276.38 g/mol
LogP2.69
Rot. Bonds5

About 3-[6-[(3R)-1-propan-2-ylpiperidin-3-yl]-2-pyridinyl]propanoic acid

3-[6-[(3R)-1-propan-2-ylpiperidin-3-yl]-2-pyridinyl]propanoic acid (PubChem CID 124938907) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-[6-[(3R)-1-propan-2-ylpiperidin-3-yl]-2-pyridinyl]propanoic acid.

Molecular Properties

Compound Name3-[6-[(3R)-1-propan-2-ylpiperidin-3-yl]-2-pyridinyl]propanoic acid
PubChem CID124938907
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-[6-[(3R)-1-propan-2-ylpiperidin-3-yl]-2-pyridinyl]propanoic acid
SMILESCC(C)N1CCC[C@@H](c2cccc(CCC(=O)O)n2)C1
InChIInChI=1S/C16H24N2O2/c1-12(2)18-10-4-5-13(11-18)15-7-3-6-14(17-15)8-9-16(19)20/h3,6-7,12-13H,4-5,8-11H2,1-2H3,(H,19,20)/t13-/m1/s1
InChIKeyYUMGKPCMJVBXDU-CYBMUJFWSA-N
XLogP2.69
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[6-[(3S)-1-methylpiperidin-3-yl]-2-pyridinyl]propanoic acid
CID 95804855
3-[6-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-2-pyridinyl]propanoic acid
CID 95827209
3-[6-[1-[(1,4-dimethylpyrazol-5-yl)methyl]piperidin-3-yl]-2-pyridinyl]propanoic acid
CID 110258280
2-bromo-6-[(3S)-1-propan-2-ylpiperidin-3-yl]pyridine
CID 95804433
N,N-dimethyl-3-[6-[(3R)-1-methylpiperidin-3-yl]-2-pyridinyl]propanamide
CID 95842659
3-[3-(1-propan-2-ylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 115081859
3-[6-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-2-pyridinyl]propanoic acid
CID 124973545
5-[6-(1-propan-2-ylpiperidin-3-yl)-2-pyridinyl]pyridin-2-amine
CID 110254388
N-(2-amino-2-oxoethyl)-3-[6-(1-methylpiperidin-3-yl)-2-pyridinyl]propanamide
CID 110258164
3-[2-methyl-6-(1-pyrimidin-2-ylpiperidin-3-yl)pyrimidin-4-yl]propanoic acid
CID 110256796
N,N-dimethyl-3-[6-methyl-2-(1-propan-2-ylpiperidin-3-yl)pyrimidin-4-yl]propanamide
CID 110258190
N,N-dimethyl-3-[6-methyl-2-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrimidin-4-yl]propanamide
CID 95827163

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(3R)-1-propan-2-ylpiperidin-3-yl]-2-pyridinyl]propanoic acid?
The IUPAC name of 3-[6-[(3R)-1-propan-2-ylpiperidin-3-yl]-2-pyridinyl]propanoic acid (CID 124938907) is 3-[6-[(3R)-1-propan-2-ylpiperidin-3-yl]-2-pyridinyl]propanoic acid.
What is the SMILES notation for 3-[6-[(3R)-1-propan-2-ylpiperidin-3-yl]-2-pyridinyl]propanoic acid?
The canonical SMILES for 3-[6-[(3R)-1-propan-2-ylpiperidin-3-yl]-2-pyridinyl]propanoic acid is CC(C)N1CCC[C@@H](c2cccc(CCC(=O)O)n2)C1.
What is the InChIKey of 3-[6-[(3R)-1-propan-2-ylpiperidin-3-yl]-2-pyridinyl]propanoic acid?
The InChIKey is YUMGKPCMJVBXDU-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(2)18-10-4-5-13(11-18)15-7-3-6-14(17-15)8-9-16(19)20/h3,6-7,12-13H,4-5,8-11H2,1-2H3,(H,19,20)/t13-/m1/s1.
What are the key properties of 3-[6-[(3R)-1-propan-2-ylpiperidin-3-yl]-2-pyridinyl]propanoic acid?
3-[6-[(3R)-1-propan-2-ylpiperidin-3-yl]-2-pyridinyl]propanoic acid has a molecular weight of 276.38 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(3R)-1-propan-2-ylpiperidin-3-yl]-2-pyridinyl]propanoic acid is sourced from PubChem (CID 124938907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).