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

C14H25NO4 — CID 117168911

IUPAC3-[2-methyl-2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]propanoic acid
SMILESCC(C)N1CCCC1C1(C)OCC(CCC(=O)O)O1
InChIInChI=1S/C14H25NO4/c1-10(2)15-8-4-5-12(15)14(3)18-9-11(19-14)6-7-13(16)17/h10-12H,4-9H2,1-3H3,(H,16,17)
InChIKeyKFVRJRAIBOIOJF-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.86
Rot. Bonds5

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

3-[2-methyl-2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]propanoic acid (PubChem CID 117168911) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-[2-methyl-2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-methyl-2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]propanoic acid
PubChem CID117168911
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name3-[2-methyl-2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]propanoic acid
SMILESCC(C)N1CCCC1C1(C)OCC(CCC(=O)O)O1
InChIInChI=1S/C14H25NO4/c1-10(2)15-8-4-5-12(15)14(3)18-9-11(19-14)6-7-13(16)17/h10-12H,4-9H2,1-3H3,(H,16,17)
InChIKeyKFVRJRAIBOIOJF-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]propanoic acid?
The IUPAC name of 3-[2-methyl-2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]propanoic acid (CID 117168911) is 3-[2-methyl-2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]propanoic acid.
What is the SMILES notation for 3-[2-methyl-2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]propanoic acid?
The canonical SMILES for 3-[2-methyl-2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]propanoic acid is CC(C)N1CCCC1C1(C)OCC(CCC(=O)O)O1.
What is the InChIKey of 3-[2-methyl-2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]propanoic acid?
The InChIKey is KFVRJRAIBOIOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-10(2)15-8-4-5-12(15)14(3)18-9-11(19-14)6-7-13(16)17/h10-12H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 3-[2-methyl-2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]propanoic acid?
3-[2-methyl-2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]propanoic acid has a molecular weight of 271.36 g/mol, XLogP of 1.86, 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-ylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]propanoic acid is sourced from PubChem (CID 117168911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).