2-(3-piperidin-1-ylpyrrolidin-1-yl)butanoic acid

C13H24N2O2 — CID 63170614

IUPAC2-(3-piperidin-1-ylpyrrolidin-1-yl)butanoic acid
SMILESCCC(C(=O)O)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C13H24N2O2/c1-2-12(13(16)17)15-9-6-11(10-15)14-7-4-3-5-8-14/h11-12H,2-10H2,1H3,(H,16,17)
InChIKeyYQQKTARXIFSHPB-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.41
Rot. Bonds4

About 2-(3-piperidin-1-ylpyrrolidin-1-yl)butanoic acid

2-(3-piperidin-1-ylpyrrolidin-1-yl)butanoic acid (PubChem CID 63170614) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-(3-piperidin-1-ylpyrrolidin-1-yl)butanoic acid.

Molecular Properties

Compound Name2-(3-piperidin-1-ylpyrrolidin-1-yl)butanoic acid
PubChem CID63170614
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-(3-piperidin-1-ylpyrrolidin-1-yl)butanoic acid
SMILESCCC(C(=O)O)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C13H24N2O2/c1-2-12(13(16)17)15-9-6-11(10-15)14-7-4-3-5-8-14/h11-12H,2-10H2,1H3,(H,16,17)
InChIKeyYQQKTARXIFSHPB-UHFFFAOYSA-N
XLogP1.41
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyclopentylpiperazin-1-yl)butanoic acid
CID 62368953
2-(azocan-1-yl)butanoic acid
CID 43808973
methyl 2-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoate
CID 115618301
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butanamide
CID 78945283
3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoic acid
CID 63170702
2-(4-piperidin-1-ylpiperidin-1-yl)butanehydrazide
CID 63571373
2-(3-methylpiperidin-1-yl)butanoic acid
CID 43235109
(2S)-2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]butanoic acid
CID 129413724
(2S)-2-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]butanoic acid
CID 129494733
4-amino-2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)butanoic acid
CID 64694618
1-(1-propan-2-ylpyrrolidin-3-yl)piperidine
CID 58850224
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)butanoic acid
CID 115314252

Frequently Asked Questions

What is the IUPAC name of 2-(3-piperidin-1-ylpyrrolidin-1-yl)butanoic acid?
The IUPAC name of 2-(3-piperidin-1-ylpyrrolidin-1-yl)butanoic acid (CID 63170614) is 2-(3-piperidin-1-ylpyrrolidin-1-yl)butanoic acid.
What is the SMILES notation for 2-(3-piperidin-1-ylpyrrolidin-1-yl)butanoic acid?
The canonical SMILES for 2-(3-piperidin-1-ylpyrrolidin-1-yl)butanoic acid is CCC(C(=O)O)N1CCC(N2CCCCC2)C1.
What is the InChIKey of 2-(3-piperidin-1-ylpyrrolidin-1-yl)butanoic acid?
The InChIKey is YQQKTARXIFSHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-2-12(13(16)17)15-9-6-11(10-15)14-7-4-3-5-8-14/h11-12H,2-10H2,1H3,(H,16,17).
What are the key properties of 2-(3-piperidin-1-ylpyrrolidin-1-yl)butanoic acid?
2-(3-piperidin-1-ylpyrrolidin-1-yl)butanoic acid has a molecular weight of 240.35 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-piperidin-1-ylpyrrolidin-1-yl)butanoic acid is sourced from PubChem (CID 63170614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).