3-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-dioxolan-4-yl]propanoic acid

C14H25NO4 — CID 117168517

IUPAC3-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-dioxolan-4-yl]propanoic acid
SMILESCC(C)N1CCC(C2OCC(CCC(=O)O)O2)CC1
InChIInChI=1S/C14H25NO4/c1-10(2)15-7-5-11(6-8-15)14-18-9-12(19-14)3-4-13(16)17/h10-12,14H,3-9H2,1-2H3,(H,16,17)
InChIKeyVBNFNKZKJXVCRF-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.71
Rot. Bonds5

About 3-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-dioxolan-4-yl]propanoic acid

3-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-dioxolan-4-yl]propanoic acid (PubChem CID 117168517) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-dioxolan-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-dioxolan-4-yl]propanoic acid
PubChem CID117168517
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name3-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-dioxolan-4-yl]propanoic acid
SMILESCC(C)N1CCC(C2OCC(CCC(=O)O)O2)CC1
InChIInChI=1S/C14H25NO4/c1-10(2)15-7-5-11(6-8-15)14-18-9-12(19-14)3-4-13(16)17/h10-12,14H,3-9H2,1-2H3,(H,16,17)
InChIKeyVBNFNKZKJXVCRF-UHFFFAOYSA-N
XLogP1.71
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-dioxolan-4-yl]propanoic acid?
The IUPAC name of 3-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-dioxolan-4-yl]propanoic acid (CID 117168517) is 3-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-dioxolan-4-yl]propanoic acid.
What is the SMILES notation for 3-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-dioxolan-4-yl]propanoic acid?
The canonical SMILES for 3-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-dioxolan-4-yl]propanoic acid is CC(C)N1CCC(C2OCC(CCC(=O)O)O2)CC1.
What is the InChIKey of 3-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-dioxolan-4-yl]propanoic acid?
The InChIKey is VBNFNKZKJXVCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-10(2)15-7-5-11(6-8-15)14-18-9-12(19-14)3-4-13(16)17/h10-12,14H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 3-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-dioxolan-4-yl]propanoic acid?
3-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-dioxolan-4-yl]propanoic acid has a molecular weight of 271.36 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-dioxolan-4-yl]propanoic acid is sourced from PubChem (CID 117168517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).