2-methyl-2-[2-oxo-3-(2-piperidin-1-ylethoxy)-1-pyridinyl]propanoic acid

C16H24N2O4 — CID 94745942

IUPAC2-methyl-2-[2-oxo-3-(2-piperidin-1-ylethoxy)-1-pyridinyl]propanoic acid
SMILESCC(C)(C(=O)O)n1cccc(OCCN2CCCCC2)c1=O
InChIInChI=1S/C16H24N2O4/c1-16(2,15(20)21)18-10-6-7-13(14(18)19)22-12-11-17-8-4-3-5-9-17/h6-7,10H,3-5,8-9,11-12H2,1-2H3,(H,20,21)
InChIKeyVHCFBIUNVHLDHL-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.53
Rot. Bonds6

About 2-methyl-2-[2-oxo-3-(2-piperidin-1-ylethoxy)-1-pyridinyl]propanoic acid

2-methyl-2-[2-oxo-3-(2-piperidin-1-ylethoxy)-1-pyridinyl]propanoic acid (PubChem CID 94745942) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-methyl-2-[2-oxo-3-(2-piperidin-1-ylethoxy)-1-pyridinyl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[2-oxo-3-(2-piperidin-1-ylethoxy)-1-pyridinyl]propanoic acid
PubChem CID94745942
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name2-methyl-2-[2-oxo-3-(2-piperidin-1-ylethoxy)-1-pyridinyl]propanoic acid
SMILESCC(C)(C(=O)O)n1cccc(OCCN2CCCCC2)c1=O
InChIInChI=1S/C16H24N2O4/c1-16(2,15(20)21)18-10-6-7-13(14(18)19)22-12-11-17-8-4-3-5-9-17/h6-7,10H,3-5,8-9,11-12H2,1-2H3,(H,20,21)
InChIKeyVHCFBIUNVHLDHL-UHFFFAOYSA-N
XLogP1.53
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-butoxy-2-oxo-1-pyridinyl)-2-ethylbutanoic acid
CID 82152064
1,2-bis[2-[2-(azocan-1-yl)ethoxy]phenyl]ethane-1,2-dione
CID 21486308
2-methyl-3-[2-oxo-3-(2-piperidin-1-ylethoxy)-1-pyridinyl]propanethioamide
CID 82151752
1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 867242
ethane;4-(2-piperidin-1-ylethoxy)benzoic acid
CID 142014809
N-(2-aminoethyl)-3-[2-oxo-3-(2-pyrrolidin-1-ylethoxy)-1-pyridinyl]propanamide
CID 94758231
1-[2-(2-methylphenoxy)ethyl]azepane;hydrochloride
CID 71576016
4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoic acid
CID 19085087
tert-butyl 4-(2-pyrrolidin-1-ylethoxy)indole-1-carboxylate
CID 23544628
2-[2-(azocan-1-yl)ethoxy]aniline
CID 43174279
1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine
CID 58154732
4-amino-3-(2-pyrrolidin-1-ylethoxy)benzoic acid
CID 82796589

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-oxo-3-(2-piperidin-1-ylethoxy)-1-pyridinyl]propanoic acid?
The IUPAC name of 2-methyl-2-[2-oxo-3-(2-piperidin-1-ylethoxy)-1-pyridinyl]propanoic acid (CID 94745942) is 2-methyl-2-[2-oxo-3-(2-piperidin-1-ylethoxy)-1-pyridinyl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[2-oxo-3-(2-piperidin-1-ylethoxy)-1-pyridinyl]propanoic acid?
The canonical SMILES for 2-methyl-2-[2-oxo-3-(2-piperidin-1-ylethoxy)-1-pyridinyl]propanoic acid is CC(C)(C(=O)O)n1cccc(OCCN2CCCCC2)c1=O.
What is the InChIKey of 2-methyl-2-[2-oxo-3-(2-piperidin-1-ylethoxy)-1-pyridinyl]propanoic acid?
The InChIKey is VHCFBIUNVHLDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-16(2,15(20)21)18-10-6-7-13(14(18)19)22-12-11-17-8-4-3-5-9-17/h6-7,10H,3-5,8-9,11-12H2,1-2H3,(H,20,21).
What are the key properties of 2-methyl-2-[2-oxo-3-(2-piperidin-1-ylethoxy)-1-pyridinyl]propanoic acid?
2-methyl-2-[2-oxo-3-(2-piperidin-1-ylethoxy)-1-pyridinyl]propanoic acid has a molecular weight of 308.38 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-oxo-3-(2-piperidin-1-ylethoxy)-1-pyridinyl]propanoic acid is sourced from PubChem (CID 94745942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).