5-oxo-5-(3-piperidin-1-ylpyrrolidin-1-yl)pentanoic acid

C14H24N2O3 — CID 63168015

IUPAC5-oxo-5-(3-piperidin-1-ylpyrrolidin-1-yl)pentanoic acid
SMILESO=C(O)CCCC(=O)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C14H24N2O3/c17-13(5-4-6-14(18)19)16-10-7-12(11-16)15-8-2-1-3-9-15/h12H,1-11H2,(H,18,19)
InChIKeyXXDMVAIENJHNGQ-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.33
Rot. Bonds5

About 5-oxo-5-(3-piperidin-1-ylpyrrolidin-1-yl)pentanoic acid

5-oxo-5-(3-piperidin-1-ylpyrrolidin-1-yl)pentanoic acid (PubChem CID 63168015) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 5-oxo-5-(3-piperidin-1-ylpyrrolidin-1-yl)pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-(3-piperidin-1-ylpyrrolidin-1-yl)pentanoic acid
PubChem CID63168015
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name5-oxo-5-(3-piperidin-1-ylpyrrolidin-1-yl)pentanoic acid
SMILESO=C(O)CCCC(=O)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C14H24N2O3/c17-13(5-4-6-14(18)19)16-10-7-12(11-16)15-8-2-1-3-9-15/h12H,1-11H2,(H,18,19)
InChIKeyXXDMVAIENJHNGQ-UHFFFAOYSA-N
XLogP1.33
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-oxo-6-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoic acid
CID 63168060
5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-oxopentanoic acid
CID 54875608
5-oxo-5-(4-pyrrolidin-1-ylpiperidin-1-yl)pentanoic acid
CID 54916584
6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-6-oxohexanoic acid
CID 63150889
3-oxo-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoic acid
CID 63175257
1-(4-carboxybutanoyl)piperidine-3-carboxylic acid
CID 54794401
2-amino-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone;dihydrochloride
CID 119877838
3-[methyl-(3-piperidin-1-ylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 63548492
(3R)-3-pyrrolidin-1-ylpyrrolidine-1-carboxylic acid
CID 68628166
2-(dimethylamino)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
CID 110479818
5-(3-methoxycarbonylpiperidin-1-yl)-5-oxopentanoic acid
CID 115534000
6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-6-oxohexanoic acid
CID 43620227

Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-(3-piperidin-1-ylpyrrolidin-1-yl)pentanoic acid?
The IUPAC name of 5-oxo-5-(3-piperidin-1-ylpyrrolidin-1-yl)pentanoic acid (CID 63168015) is 5-oxo-5-(3-piperidin-1-ylpyrrolidin-1-yl)pentanoic acid.
What is the SMILES notation for 5-oxo-5-(3-piperidin-1-ylpyrrolidin-1-yl)pentanoic acid?
The canonical SMILES for 5-oxo-5-(3-piperidin-1-ylpyrrolidin-1-yl)pentanoic acid is O=C(O)CCCC(=O)N1CCC(N2CCCCC2)C1.
What is the InChIKey of 5-oxo-5-(3-piperidin-1-ylpyrrolidin-1-yl)pentanoic acid?
The InChIKey is XXDMVAIENJHNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c17-13(5-4-6-14(18)19)16-10-7-12(11-16)15-8-2-1-3-9-15/h12H,1-11H2,(H,18,19).
What are the key properties of 5-oxo-5-(3-piperidin-1-ylpyrrolidin-1-yl)pentanoic acid?
5-oxo-5-(3-piperidin-1-ylpyrrolidin-1-yl)pentanoic acid has a molecular weight of 268.36 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-(3-piperidin-1-ylpyrrolidin-1-yl)pentanoic acid is sourced from PubChem (CID 63168015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).