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

C15H27NO4 — CID 117168519

IUPAC3-[2-methyl-2-(1-propan-2-ylpiperidin-4-yl)-1,3-dioxolan-4-yl]propanoic acid
SMILESCC(C)N1CCC(C2(C)OCC(CCC(=O)O)O2)CC1
InChIInChI=1S/C15H27NO4/c1-11(2)16-8-6-12(7-9-16)15(3)19-10-13(20-15)4-5-14(17)18/h11-13H,4-10H2,1-3H3,(H,17,18)
InChIKeyADGAQAVKJLDZTQ-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.10
Rot. Bonds5

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

3-[2-methyl-2-(1-propan-2-ylpiperidin-4-yl)-1,3-dioxolan-4-yl]propanoic acid (PubChem CID 117168519) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is 3-[2-methyl-2-(1-propan-2-ylpiperidin-4-yl)-1,3-dioxolan-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-methyl-2-(1-propan-2-ylpiperidin-4-yl)-1,3-dioxolan-4-yl]propanoic acid
PubChem CID117168519
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name3-[2-methyl-2-(1-propan-2-ylpiperidin-4-yl)-1,3-dioxolan-4-yl]propanoic acid
SMILESCC(C)N1CCC(C2(C)OCC(CCC(=O)O)O2)CC1
InChIInChI=1S/C15H27NO4/c1-11(2)16-8-6-12(7-9-16)15(3)19-10-13(20-15)4-5-14(17)18/h11-13H,4-10H2,1-3H3,(H,17,18)
InChIKeyADGAQAVKJLDZTQ-UHFFFAOYSA-N
XLogP2.10
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-Methyl-2-(1-methylpyrrolidin-3-yl)-1,3-dioxolan-4-yl]propanoic acid
CID 117168417
3-[2-(1-Propan-2-ylpyrrolidin-3-yl)-1,3-dioxolan-4-yl]propanoic acid
CID 117168419
3-[2-(1-Ethylpyrrolidin-3-yl)-2-methyl-1,3-dioxolan-4-yl]propanoic acid
CID 117168420
3-[2-Methyl-2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-dioxolan-4-yl]propanoic acid
CID 117168421
2-[2-Methyl-2-(1-methylpiperidin-4-yl)-1,3-dioxolan-4-yl]acetic acid
CID 117168481
2-[2-(1-Propan-2-ylpiperidin-4-yl)-1,3-dioxolan-4-yl]acetic acid
CID 117168485
2-[2-(1-Ethylpiperidin-4-yl)-2-methyl-1,3-dioxolan-4-yl]acetic acid
CID 117168488
2-[2-Methyl-2-(1-propan-2-ylpiperidin-4-yl)-1,3-dioxolan-4-yl]acetic acid
CID 117168489
3-(2-Piperidin-4-yl-1,3-dioxolan-4-yl)propanoic acid
CID 117168512
3-[2-(1-Methylpiperidin-4-yl)-1,3-dioxolan-4-yl]propanoic acid
CID 117168513
3-(2-Methyl-2-piperidin-4-yl-1,3-dioxolan-4-yl)propanoic acid
CID 117168514
3-[2-Methyl-2-(1-methylpiperidin-4-yl)-1,3-dioxolan-4-yl]propanoic acid
CID 117168515

Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-2-(1-propan-2-ylpiperidin-4-yl)-1,3-dioxolan-4-yl]propanoic acid?
The IUPAC name of 3-[2-methyl-2-(1-propan-2-ylpiperidin-4-yl)-1,3-dioxolan-4-yl]propanoic acid (CID 117168519) is 3-[2-methyl-2-(1-propan-2-ylpiperidin-4-yl)-1,3-dioxolan-4-yl]propanoic acid.
What is the SMILES notation for 3-[2-methyl-2-(1-propan-2-ylpiperidin-4-yl)-1,3-dioxolan-4-yl]propanoic acid?
The canonical SMILES for 3-[2-methyl-2-(1-propan-2-ylpiperidin-4-yl)-1,3-dioxolan-4-yl]propanoic acid is CC(C)N1CCC(C2(C)OCC(CCC(=O)O)O2)CC1.
What is the InChIKey of 3-[2-methyl-2-(1-propan-2-ylpiperidin-4-yl)-1,3-dioxolan-4-yl]propanoic acid?
The InChIKey is ADGAQAVKJLDZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-11(2)16-8-6-12(7-9-16)15(3)19-10-13(20-15)4-5-14(17)18/h11-13H,4-10H2,1-3H3,(H,17,18).
What are the key properties of 3-[2-methyl-2-(1-propan-2-ylpiperidin-4-yl)-1,3-dioxolan-4-yl]propanoic acid?
3-[2-methyl-2-(1-propan-2-ylpiperidin-4-yl)-1,3-dioxolan-4-yl]propanoic acid has a molecular weight of 285.38 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-2-(1-propan-2-ylpiperidin-4-yl)-1,3-dioxolan-4-yl]propanoic acid is sourced from PubChem (CID 117168519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).