2-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethoxy]acetic acid

C13H22N2O4 — CID 61327314

IUPAC2-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethoxy]acetic acid
SMILESO=C(O)COCC(=O)N1CCCC(N2CCCC2)C1
InChIInChI=1S/C13H22N2O4/c16-12(9-19-10-13(17)18)15-7-3-4-11(8-15)14-5-1-2-6-14/h11H,1-10H2,(H,17,18)
InChIKeyBGXFUBWAGHRNCG-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.17
Rot. Bonds5

About 2-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethoxy]acetic acid

2-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethoxy]acetic acid (PubChem CID 61327314) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethoxy]acetic acid
PubChem CID61327314
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name2-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethoxy]acetic acid
SMILESO=C(O)COCC(=O)N1CCCC(N2CCCC2)C1
InChIInChI=1S/C13H22N2O4/c16-12(9-19-10-13(17)18)15-7-3-4-11(8-15)14-5-1-2-6-14/h11H,1-10H2,(H,17,18)
InChIKeyBGXFUBWAGHRNCG-UHFFFAOYSA-N
XLogP0.17
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carbonyl)piperidine-3-carboxylic acid
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2-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxoethyl]sulfanylacetic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethoxy]acetic acid?
The IUPAC name of 2-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethoxy]acetic acid (CID 61327314) is 2-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethoxy]acetic acid?
The canonical SMILES for 2-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethoxy]acetic acid is O=C(O)COCC(=O)N1CCCC(N2CCCC2)C1.
What is the InChIKey of 2-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethoxy]acetic acid?
The InChIKey is BGXFUBWAGHRNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c16-12(9-19-10-13(17)18)15-7-3-4-11(8-15)14-5-1-2-6-14/h11H,1-10H2,(H,17,18).
What are the key properties of 2-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethoxy]acetic acid?
2-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethoxy]acetic acid has a molecular weight of 270.33 g/mol, XLogP of 0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethoxy]acetic acid is sourced from PubChem (CID 61327314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).