3-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-3-yl]butanoic acid

C14H24N2O3 — CID 81046818

IUPAC3-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-3-yl]butanoic acid
SMILESCC(CC(=O)O)C1CCCN(C2CCN(C)C2=O)C1
InChIInChI=1S/C14H24N2O3/c1-10(8-13(17)18)11-4-3-6-16(9-11)12-5-7-15(2)14(12)19/h10-12H,3-9H2,1-2H3,(H,17,18)
InChIKeyAYVAPESHRJMIIA-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.04
Rot. Bonds4

About 3-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-3-yl]butanoic acid

3-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-3-yl]butanoic acid (PubChem CID 81046818) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-3-yl]butanoic acid.

Molecular Properties

Compound Name3-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-3-yl]butanoic acid
PubChem CID81046818
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name3-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-3-yl]butanoic acid
SMILESCC(CC(=O)O)C1CCCN(C2CCN(C)C2=O)C1
InChIInChI=1S/C14H24N2O3/c1-10(8-13(17)18)11-4-3-6-16(9-11)12-5-7-15(2)14(12)19/h10-12H,3-9H2,1-2H3,(H,17,18)
InChIKeyAYVAPESHRJMIIA-UHFFFAOYSA-N
XLogP1.04
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(thiolan-3-yl)piperidin-3-yl]butanoic acid
CID 81046609
3-cyclobutylbutanoic acid
CID 82594402
(3S)-3-cyclobutylbutanoic acid
CID 96733267
3-[1-(4,4-dimethylcycloheptyl)piperidin-3-yl]butanoic acid
CID 81047701
3-[1-(2,6-dimethylheptan-4-yl)piperidin-3-yl]butanoic acid
CID 114867007
3-[1-(2,2-difluoroacetyl)piperidin-3-yl]butanoic acid
CID 103513401
3-(1-nonylpiperidin-3-yl)butanoic acid
CID 81047349
3-[1-(cyclopentanecarbonyl)piperidin-3-yl]butanoic acid
CID 81046487
3-[1-[2-(diethylamino)ethyl]piperidin-3-yl]butanoic acid
CID 81047036
3-(1-piperidin-1-ylsulfonylpiperidin-3-yl)butanoic acid
CID 81043263
3-[1-[2-(methylamino)acetyl]piperidin-3-yl]butanoic acid
CID 81046132
3-(1-cyclopentylsulfonylpiperidin-3-yl)butanoic acid
CID 105360920

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-3-yl]butanoic acid?
The IUPAC name of 3-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-3-yl]butanoic acid (CID 81046818) is 3-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-3-yl]butanoic acid.
What is the SMILES notation for 3-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-3-yl]butanoic acid?
The canonical SMILES for 3-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-3-yl]butanoic acid is CC(CC(=O)O)C1CCCN(C2CCN(C)C2=O)C1.
What is the InChIKey of 3-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-3-yl]butanoic acid?
The InChIKey is AYVAPESHRJMIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-10(8-13(17)18)11-4-3-6-16(9-11)12-5-7-15(2)14(12)19/h10-12H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 3-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-3-yl]butanoic acid?
3-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-3-yl]butanoic acid has a molecular weight of 268.36 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-3-yl]butanoic acid is sourced from PubChem (CID 81046818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).