3-[6-[(3S)-1-methylpiperidin-3-yl]-2-pyridinyl]propanoic acid

C14H20N2O2 — CID 95804855

IUPAC3-[6-[(3S)-1-methylpiperidin-3-yl]-2-pyridinyl]propanoic acid
SMILESCN1CCC[C@H](c2cccc(CCC(=O)O)n2)C1
InChIInChI=1S/C14H20N2O2/c1-16-9-3-4-11(10-16)13-6-2-5-12(15-13)7-8-14(17)18/h2,5-6,11H,3-4,7-10H2,1H3,(H,17,18)/t11-/m0/s1
InChIKeyZMGYRYBRWXVLHA-NSHDSACASA-N
MW248.33 g/mol
LogP1.91
Rot. Bonds4

About 3-[6-[(3S)-1-methylpiperidin-3-yl]-2-pyridinyl]propanoic acid

3-[6-[(3S)-1-methylpiperidin-3-yl]-2-pyridinyl]propanoic acid (PubChem CID 95804855) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-[6-[(3S)-1-methylpiperidin-3-yl]-2-pyridinyl]propanoic acid.

Molecular Properties

Compound Name3-[6-[(3S)-1-methylpiperidin-3-yl]-2-pyridinyl]propanoic acid
PubChem CID95804855
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-[6-[(3S)-1-methylpiperidin-3-yl]-2-pyridinyl]propanoic acid
SMILESCN1CCC[C@H](c2cccc(CCC(=O)O)n2)C1
InChIInChI=1S/C14H20N2O2/c1-16-9-3-4-11(10-16)13-6-2-5-12(15-13)7-8-14(17)18/h2,5-6,11H,3-4,7-10H2,1H3,(H,17,18)/t11-/m0/s1
InChIKeyZMGYRYBRWXVLHA-NSHDSACASA-N
XLogP1.91
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-3-[6-[(3R)-1-methylpiperidin-3-yl]-2-pyridinyl]propanamide
CID 95842659
3-[6-[(3R)-1-propan-2-ylpiperidin-3-yl]-2-pyridinyl]propanoic acid
CID 124938907
N-(2-amino-2-oxoethyl)-3-[6-(1-methylpiperidin-3-yl)-2-pyridinyl]propanamide
CID 110258164
3-[5-[(3R)-1-methylpiperidin-3-yl]pyrazin-2-yl]propanoic acid
CID 95804870
3-[6-[1-[(1,4-dimethylpyrazol-5-yl)methyl]piperidin-3-yl]-2-pyridinyl]propanoic acid
CID 110258280
3-[6-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-2-pyridinyl]propanoic acid
CID 95827209
3-[6-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-2-pyridinyl]propanoic acid
CID 124973545
2-methyl-3-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]propanoic acid
CID 116900046
3-[2-methyl-6-(1-pyrimidin-2-ylpiperidin-3-yl)pyrimidin-4-yl]propanoic acid
CID 110256796
3-[6-[(3R)-1-(oxane-4-carbonyl)piperidin-3-yl]-2-pyridinyl]propanamide
CID 95820769
3-[6-(2-carboxyethyl)-2-pyridinyl]propanoic acid
CID 22717208
3-[6-[(2R)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanoic acid
CID 95827389

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(3S)-1-methylpiperidin-3-yl]-2-pyridinyl]propanoic acid?
The IUPAC name of 3-[6-[(3S)-1-methylpiperidin-3-yl]-2-pyridinyl]propanoic acid (CID 95804855) is 3-[6-[(3S)-1-methylpiperidin-3-yl]-2-pyridinyl]propanoic acid.
What is the SMILES notation for 3-[6-[(3S)-1-methylpiperidin-3-yl]-2-pyridinyl]propanoic acid?
The canonical SMILES for 3-[6-[(3S)-1-methylpiperidin-3-yl]-2-pyridinyl]propanoic acid is CN1CCC[C@H](c2cccc(CCC(=O)O)n2)C1.
What is the InChIKey of 3-[6-[(3S)-1-methylpiperidin-3-yl]-2-pyridinyl]propanoic acid?
The InChIKey is ZMGYRYBRWXVLHA-NSHDSACASA-N. The full InChI is InChI=1S/C14H20N2O2/c1-16-9-3-4-11(10-16)13-6-2-5-12(15-13)7-8-14(17)18/h2,5-6,11H,3-4,7-10H2,1H3,(H,17,18)/t11-/m0/s1.
What are the key properties of 3-[6-[(3S)-1-methylpiperidin-3-yl]-2-pyridinyl]propanoic acid?
3-[6-[(3S)-1-methylpiperidin-3-yl]-2-pyridinyl]propanoic acid has a molecular weight of 248.33 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(3S)-1-methylpiperidin-3-yl]-2-pyridinyl]propanoic acid is sourced from PubChem (CID 95804855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).