3-[(2R)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-2-yl]propanoic acid

C16H24N2O2 — CID 99927034

IUPAC3-[(2R)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-2-yl]propanoic acid
SMILESCCc1ccc(CN2CCCC[C@@H]2CCC(=O)O)nc1
InChIInChI=1S/C16H24N2O2/c1-2-13-6-7-14(17-11-13)12-18-10-4-3-5-15(18)8-9-16(19)20/h6-7,11,15H,2-5,8-10,12H2,1H3,(H,19,20)/t15-/m1/s1
InChIKeyJQAKKRHAZFYRGZ-OAHLLOKOSA-N
MW276.38 g/mol
LogP2.86
Rot. Bonds6

About 3-[(2R)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-2-yl]propanoic acid

3-[(2R)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-2-yl]propanoic acid (PubChem CID 99927034) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-[(2R)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[(2R)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-2-yl]propanoic acid
PubChem CID99927034
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-[(2R)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-2-yl]propanoic acid
SMILESCCc1ccc(CN2CCCC[C@@H]2CCC(=O)O)nc1
InChIInChI=1S/C16H24N2O2/c1-2-13-6-7-14(17-11-13)12-18-10-4-3-5-15(18)8-9-16(19)20/h6-7,11,15H,2-5,8-10,12H2,1H3,(H,19,20)/t15-/m1/s1
InChIKeyJQAKKRHAZFYRGZ-OAHLLOKOSA-N
XLogP2.86
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Isbogrel
CID 5284442
3-(Pyridin-3-yl)propanoic acid
CID 259624
3-Pyridinebutanoic acid
CID 114
3-(Pyridin-2-yl)propanoic acid
CID 564292
(Z)-7-phenyl-7-pyridin-3-ylhept-6-enoic acid
CID 6537201
1-(Pyridin-4-ylmethyl)piperidine-4-carboxylic acid
CID 2761157
4-(Methylnitrosamino)-4-(3-pyridyl)butyric acid
CID 115108
(+/-)-threo-N-(2-Methylpyridine)methylphenidate
CID 52943483
3,4-Dimethyl-6-[(pyridin-2-ylmethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 2826209
1-Pyridin-2-ylmethyl-piperidine-4-carboxylic acid hydrochloride
CID 16195169
3-[4-(Pyridin-3-ylmethyl)phenyl]propanoic acid;hydrochloride
CID 12882186
2-Methyl-3-[4-(pyridin-3-ylmethyl)phenyl]propanoic acid;hydrochloride
CID 12882191

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[(2R)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-2-yl]propanoic acid (CID 99927034) is 3-[(2R)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[(2R)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[(2R)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-2-yl]propanoic acid is CCc1ccc(CN2CCCC[C@@H]2CCC(=O)O)nc1.
What is the InChIKey of 3-[(2R)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-2-yl]propanoic acid?
The InChIKey is JQAKKRHAZFYRGZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-13-6-7-14(17-11-13)12-18-10-4-3-5-15(18)8-9-16(19)20/h6-7,11,15H,2-5,8-10,12H2,1H3,(H,19,20)/t15-/m1/s1.
What are the key properties of 3-[(2R)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-2-yl]propanoic acid?
3-[(2R)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-2-yl]propanoic acid has a molecular weight of 276.38 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-2-yl]propanoic acid is sourced from PubChem (CID 99927034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).