2-(1-butanoylpiperidin-2-yl)acetic acid

C11H19NO3 — CID 61010375

IUPAC2-(1-butanoylpiperidin-2-yl)acetic acid
SMILESCCCC(=O)N1CCCCC1CC(=O)O
InChIInChI=1S/C11H19NO3/c1-2-5-10(13)12-7-4-3-6-9(12)8-11(14)15/h9H,2-8H2,1H3,(H,14,15)
InChIKeyMBPXCZZLPNJULE-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.64
Rot. Bonds4

About 2-(1-butanoylpiperidin-2-yl)acetic acid

2-(1-butanoylpiperidin-2-yl)acetic acid (PubChem CID 61010375) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-(1-butanoylpiperidin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1-butanoylpiperidin-2-yl)acetic acid
PubChem CID61010375
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-(1-butanoylpiperidin-2-yl)acetic acid
SMILESCCCC(=O)N1CCCCC1CC(=O)O
InChIInChI=1S/C11H19NO3/c1-2-5-10(13)12-7-4-3-6-9(12)8-11(14)15/h9H,2-8H2,1H3,(H,14,15)
InChIKeyMBPXCZZLPNJULE-UHFFFAOYSA-N
XLogP1.64
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2R)-1-[3-(4-methylpiperazin-1-yl)propanoyl]piperidin-2-yl]acetic acid
CID 126423639
1-(2-ethylpyrrolidin-1-yl)butan-1-one
CID 63083979
1-[2-(2-aminoethyl)piperidin-1-yl]butan-1-one
CID 63754291
4-(2-ethylazepan-1-yl)-4-oxobutanoic acid
CID 115910484
6-oxo-6-(2-propylpiperidin-1-yl)hexanoic acid
CID 83052295
2-[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]acetic acid
CID 61370257
6-(2-ethylpiperidin-1-yl)-6-oxohexanoic acid
CID 43447225
2-[1-[4-(methylamino)butanoyl]pyrrolidin-2-yl]acetic acid
CID 61371159
2-[1-[2-[acetyl(methyl)amino]acetyl]piperidin-2-yl]acetic acid
CID 54899944
2-[1-[2-(2-methoxyethylsulfanyl)acetyl]piperidin-2-yl]acetic acid
CID 54899945
1-(2-ethylpiperidin-1-yl)pentan-1-one
CID 3041221
2-[1-(butylcarbamoyl)piperidin-2-yl]acetic acid
CID 61010692

Frequently Asked Questions

What is the IUPAC name of 2-(1-butanoylpiperidin-2-yl)acetic acid?
The IUPAC name of 2-(1-butanoylpiperidin-2-yl)acetic acid (CID 61010375) is 2-(1-butanoylpiperidin-2-yl)acetic acid.
What is the SMILES notation for 2-(1-butanoylpiperidin-2-yl)acetic acid?
The canonical SMILES for 2-(1-butanoylpiperidin-2-yl)acetic acid is CCCC(=O)N1CCCCC1CC(=O)O.
What is the InChIKey of 2-(1-butanoylpiperidin-2-yl)acetic acid?
The InChIKey is MBPXCZZLPNJULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-2-5-10(13)12-7-4-3-6-9(12)8-11(14)15/h9H,2-8H2,1H3,(H,14,15).
What are the key properties of 2-(1-butanoylpiperidin-2-yl)acetic acid?
2-(1-butanoylpiperidin-2-yl)acetic acid has a molecular weight of 213.28 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butanoylpiperidin-2-yl)acetic acid is sourced from PubChem (CID 61010375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).