2-(1-acetylpiperidin-4-yl)propanoic acid

C10H17NO3 — CID 22497213

IUPAC2-(1-acetylpiperidin-4-yl)propanoic acid
SMILESCC(=O)N1CCC(C(C)C(=O)O)CC1
InChIInChI=1S/C10H17NO3/c1-7(10(13)14)9-3-5-11(6-4-9)8(2)12/h7,9H,3-6H2,1-2H3,(H,13,14)
InChIKeyZQICUOPCXJYKCB-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.97
Rot. Bonds2

About 2-(1-acetylpiperidin-4-yl)propanoic acid

2-(1-acetylpiperidin-4-yl)propanoic acid (PubChem CID 22497213) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-(1-acetylpiperidin-4-yl)propanoic acid.

Molecular Properties

Compound Name2-(1-acetylpiperidin-4-yl)propanoic acid
PubChem CID22497213
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name2-(1-acetylpiperidin-4-yl)propanoic acid
SMILESCC(=O)N1CCC(C(C)C(=O)O)CC1
InChIInChI=1S/C10H17NO3/c1-7(10(13)14)9-3-5-11(6-4-9)8(2)12/h7,9H,3-6H2,1-2H3,(H,13,14)
InChIKeyZQICUOPCXJYKCB-UHFFFAOYSA-N
XLogP0.97
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-acetylpiperidin-4-yl)propanoic acid?
The IUPAC name of 2-(1-acetylpiperidin-4-yl)propanoic acid (CID 22497213) is 2-(1-acetylpiperidin-4-yl)propanoic acid.
What is the SMILES notation for 2-(1-acetylpiperidin-4-yl)propanoic acid?
The canonical SMILES for 2-(1-acetylpiperidin-4-yl)propanoic acid is CC(=O)N1CCC(C(C)C(=O)O)CC1.
What is the InChIKey of 2-(1-acetylpiperidin-4-yl)propanoic acid?
The InChIKey is ZQICUOPCXJYKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-7(10(13)14)9-3-5-11(6-4-9)8(2)12/h7,9H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 2-(1-acetylpiperidin-4-yl)propanoic acid?
2-(1-acetylpiperidin-4-yl)propanoic acid has a molecular weight of 199.25 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetylpiperidin-4-yl)propanoic acid is sourced from PubChem (CID 22497213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).