2-(1-acetylpiperidin-3-yl)butanoic acid

C11H19NO3 — CID 82613153

IUPAC2-(1-acetylpiperidin-3-yl)butanoic acid
SMILESCCC(C(=O)O)C1CCCN(C(C)=O)C1
InChIInChI=1S/C11H19NO3/c1-3-10(11(14)15)9-5-4-6-12(7-9)8(2)13/h9-10H,3-7H2,1-2H3,(H,14,15)
InChIKeyKKXWQTFCXXQYGB-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.36
Rot. Bonds3

About 2-(1-acetylpiperidin-3-yl)butanoic acid

2-(1-acetylpiperidin-3-yl)butanoic acid (PubChem CID 82613153) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-(1-acetylpiperidin-3-yl)butanoic acid.

Molecular Properties

Compound Name2-(1-acetylpiperidin-3-yl)butanoic acid
PubChem CID82613153
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-(1-acetylpiperidin-3-yl)butanoic acid
SMILESCCC(C(=O)O)C1CCCN(C(C)=O)C1
InChIInChI=1S/C11H19NO3/c1-3-10(11(14)15)9-5-4-6-12(7-9)8(2)13/h9-10H,3-7H2,1-2H3,(H,14,15)
InChIKeyKKXWQTFCXXQYGB-UHFFFAOYSA-N
XLogP1.36
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-acetylpiperidin-3-yl)-2-hydroxyacetic acid
CID 131491204
2-cycloheptylbutanoic acid
CID 79007061
CID 173256646
CID 173256646
1-[(3S)-3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 172646124
1-[(3R)-3-propan-2-ylpyrrolidin-1-yl]ethanone
CID 90251705
1-[(3R)-3-(propan-2-ylamino)piperidin-1-yl]ethanone
CID 66569291
3-amino-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]propanoic acid
CID 83489023
1-[4-(2-amino-1-hydroxyethyl)azepan-1-yl]ethanone
CID 115006831
1-acetylpiperidine-3-carboxylic acid
CID 14043896
ethane;1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 176561282
1-(3-cyclopentylpiperidin-1-yl)ethanone
CID 91592675
ethane;1-(3-methylpiperidin-1-yl)ethanone
CID 91356589

Frequently Asked Questions

What is the IUPAC name of 2-(1-acetylpiperidin-3-yl)butanoic acid?
The IUPAC name of 2-(1-acetylpiperidin-3-yl)butanoic acid (CID 82613153) is 2-(1-acetylpiperidin-3-yl)butanoic acid.
What is the SMILES notation for 2-(1-acetylpiperidin-3-yl)butanoic acid?
The canonical SMILES for 2-(1-acetylpiperidin-3-yl)butanoic acid is CCC(C(=O)O)C1CCCN(C(C)=O)C1.
What is the InChIKey of 2-(1-acetylpiperidin-3-yl)butanoic acid?
The InChIKey is KKXWQTFCXXQYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-3-10(11(14)15)9-5-4-6-12(7-9)8(2)13/h9-10H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 2-(1-acetylpiperidin-3-yl)butanoic acid?
2-(1-acetylpiperidin-3-yl)butanoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetylpiperidin-3-yl)butanoic acid is sourced from PubChem (CID 82613153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).