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

C14H25NO4 — CID 117168489

IUPAC2-[2-methyl-2-(1-propan-2-ylpiperidin-4-yl)-1,3-dioxolan-4-yl]acetic acid
SMILESCC(C)N1CCC(C2(C)OCC(CC(=O)O)O2)CC1
InChIInChI=1S/C14H25NO4/c1-10(2)15-6-4-11(5-7-15)14(3)18-9-12(19-14)8-13(16)17/h10-12H,4-9H2,1-3H3,(H,16,17)
InChIKeyFTAOIHXIRAHQOM-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.71
Rot. Bonds4

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

2-[2-methyl-2-(1-propan-2-ylpiperidin-4-yl)-1,3-dioxolan-4-yl]acetic acid (PubChem CID 117168489) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[2-methyl-2-(1-propan-2-ylpiperidin-4-yl)-1,3-dioxolan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-methyl-2-(1-propan-2-ylpiperidin-4-yl)-1,3-dioxolan-4-yl]acetic acid
PubChem CID117168489
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name2-[2-methyl-2-(1-propan-2-ylpiperidin-4-yl)-1,3-dioxolan-4-yl]acetic acid
SMILESCC(C)N1CCC(C2(C)OCC(CC(=O)O)O2)CC1
InChIInChI=1S/C14H25NO4/c1-10(2)15-6-4-11(5-7-15)14(3)18-9-12(19-14)8-13(16)17/h10-12H,4-9H2,1-3H3,(H,16,17)
InChIKeyFTAOIHXIRAHQOM-UHFFFAOYSA-N
XLogP1.71
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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 2-[2-methyl-2-(1-propan-2-ylpiperidin-4-yl)-1,3-dioxolan-4-yl]acetic acid?
The IUPAC name of 2-[2-methyl-2-(1-propan-2-ylpiperidin-4-yl)-1,3-dioxolan-4-yl]acetic acid (CID 117168489) is 2-[2-methyl-2-(1-propan-2-ylpiperidin-4-yl)-1,3-dioxolan-4-yl]acetic acid.
What is the SMILES notation for 2-[2-methyl-2-(1-propan-2-ylpiperidin-4-yl)-1,3-dioxolan-4-yl]acetic acid?
The canonical SMILES for 2-[2-methyl-2-(1-propan-2-ylpiperidin-4-yl)-1,3-dioxolan-4-yl]acetic acid is CC(C)N1CCC(C2(C)OCC(CC(=O)O)O2)CC1.
What is the InChIKey of 2-[2-methyl-2-(1-propan-2-ylpiperidin-4-yl)-1,3-dioxolan-4-yl]acetic acid?
The InChIKey is FTAOIHXIRAHQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-10(2)15-6-4-11(5-7-15)14(3)18-9-12(19-14)8-13(16)17/h10-12H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 2-[2-methyl-2-(1-propan-2-ylpiperidin-4-yl)-1,3-dioxolan-4-yl]acetic acid?
2-[2-methyl-2-(1-propan-2-ylpiperidin-4-yl)-1,3-dioxolan-4-yl]acetic acid has a molecular weight of 271.36 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-2-(1-propan-2-ylpiperidin-4-yl)-1,3-dioxolan-4-yl]acetic acid is sourced from PubChem (CID 117168489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).