3-[1-(oxane-3-carbonyl)piperidin-3-yl]propanoic acid

C14H23NO4 — CID 62758630

IUPAC3-[1-(oxane-3-carbonyl)piperidin-3-yl]propanoic acid
SMILESO=C(O)CCC1CCCN(C(=O)C2CCCOC2)C1
InChIInChI=1S/C14H23NO4/c16-13(17)6-5-11-3-1-7-15(9-11)14(18)12-4-2-8-19-10-12/h11-12H,1-10H2,(H,16,17)
InChIKeyAUBZZPYAHBPEQN-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.52
Rot. Bonds4

About 3-[1-(oxane-3-carbonyl)piperidin-3-yl]propanoic acid

3-[1-(oxane-3-carbonyl)piperidin-3-yl]propanoic acid (PubChem CID 62758630) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-[1-(oxane-3-carbonyl)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(oxane-3-carbonyl)piperidin-3-yl]propanoic acid
PubChem CID62758630
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name3-[1-(oxane-3-carbonyl)piperidin-3-yl]propanoic acid
SMILESO=C(O)CCC1CCCN(C(=O)C2CCCOC2)C1
InChIInChI=1S/C14H23NO4/c16-13(17)6-5-11-3-1-7-15(9-11)14(18)12-4-2-8-19-10-12/h11-12H,1-10H2,(H,16,17)
InChIKeyAUBZZPYAHBPEQN-UHFFFAOYSA-N
XLogP1.52
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(oxane-3-carbonyl)piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-(oxane-3-carbonyl)piperidin-3-yl]propanoic acid (CID 62758630) is 3-[1-(oxane-3-carbonyl)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-(oxane-3-carbonyl)piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-(oxane-3-carbonyl)piperidin-3-yl]propanoic acid is O=C(O)CCC1CCCN(C(=O)C2CCCOC2)C1.
What is the InChIKey of 3-[1-(oxane-3-carbonyl)piperidin-3-yl]propanoic acid?
The InChIKey is AUBZZPYAHBPEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c16-13(17)6-5-11-3-1-7-15(9-11)14(18)12-4-2-8-19-10-12/h11-12H,1-10H2,(H,16,17).
What are the key properties of 3-[1-(oxane-3-carbonyl)piperidin-3-yl]propanoic acid?
3-[1-(oxane-3-carbonyl)piperidin-3-yl]propanoic acid has a molecular weight of 269.34 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(oxane-3-carbonyl)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 62758630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).