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

C14H25NO4 — CID 117169008

IUPAC3-[2-(1-ethylpiperidin-2-yl)-2-methyl-1,3-dioxolan-4-yl]propanoic acid
SMILESCCN1CCCCC1C1(C)OCC(CCC(=O)O)O1
InChIInChI=1S/C14H25NO4/c1-3-15-9-5-4-6-12(15)14(2)18-10-11(19-14)7-8-13(16)17/h11-12H,3-10H2,1-2H3,(H,16,17)
InChIKeyHHYAOMPWHXCLGC-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.86
Rot. Bonds5

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

3-[2-(1-ethylpiperidin-2-yl)-2-methyl-1,3-dioxolan-4-yl]propanoic acid (PubChem CID 117169008) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-[2-(1-ethylpiperidin-2-yl)-2-methyl-1,3-dioxolan-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(1-ethylpiperidin-2-yl)-2-methyl-1,3-dioxolan-4-yl]propanoic acid
PubChem CID117169008
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name3-[2-(1-ethylpiperidin-2-yl)-2-methyl-1,3-dioxolan-4-yl]propanoic acid
SMILESCCN1CCCCC1C1(C)OCC(CCC(=O)O)O1
InChIInChI=1S/C14H25NO4/c1-3-15-9-5-4-6-12(15)14(2)18-10-11(19-14)7-8-13(16)17/h11-12H,3-10H2,1-2H3,(H,16,17)
InChIKeyHHYAOMPWHXCLGC-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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Related Compounds

2-(1,4-Dioxa-9-azaspiro[4.5]decan-9-yl)hexanoic acid
CID 104083484
3-[2-Methyl-2-(1-propan-2-ylpiperidin-4-yl)-1,3-dioxolan-4-yl]propanoic acid
CID 117168519
3-[2-Methyl-2-(1-methylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]propanoic acid
CID 117168907
3-[2-(1-Ethylpyrrolidin-2-yl)-2-methyl-1,3-dioxolan-4-yl]propanoic acid
CID 117168910
3-[2-Methyl-2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]propanoic acid
CID 117168911
2-[2-(1-Methylpiperidin-2-yl)-1,3-dioxolan-4-yl]acetic acid
CID 117168967
2-[2-Methyl-2-(1-methylpiperidin-2-yl)-1,3-dioxolan-4-yl]acetic acid
CID 117168971
Methyl 2-[2-methyl-2-(1-methylpiperidin-2-yl)-1,3-dioxolan-4-yl]acetate
CID 117168973
2-[2-(1-Ethylpiperidin-2-yl)-1,3-dioxolan-4-yl]acetic acid
CID 117168974
2-[2-(1-Propan-2-ylpiperidin-2-yl)-1,3-dioxolan-4-yl]acetic acid
CID 117168975
2-[2-(1-Ethylpiperidin-2-yl)-2-methyl-1,3-dioxolan-4-yl]acetic acid
CID 117168978
2-[2-Methyl-2-(1-propan-2-ylpiperidin-2-yl)-1,3-dioxolan-4-yl]acetic acid
CID 117168979

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-ethylpiperidin-2-yl)-2-methyl-1,3-dioxolan-4-yl]propanoic acid?
The IUPAC name of 3-[2-(1-ethylpiperidin-2-yl)-2-methyl-1,3-dioxolan-4-yl]propanoic acid (CID 117169008) is 3-[2-(1-ethylpiperidin-2-yl)-2-methyl-1,3-dioxolan-4-yl]propanoic acid.
What is the SMILES notation for 3-[2-(1-ethylpiperidin-2-yl)-2-methyl-1,3-dioxolan-4-yl]propanoic acid?
The canonical SMILES for 3-[2-(1-ethylpiperidin-2-yl)-2-methyl-1,3-dioxolan-4-yl]propanoic acid is CCN1CCCCC1C1(C)OCC(CCC(=O)O)O1.
What is the InChIKey of 3-[2-(1-ethylpiperidin-2-yl)-2-methyl-1,3-dioxolan-4-yl]propanoic acid?
The InChIKey is HHYAOMPWHXCLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-3-15-9-5-4-6-12(15)14(2)18-10-11(19-14)7-8-13(16)17/h11-12H,3-10H2,1-2H3,(H,16,17).
What are the key properties of 3-[2-(1-ethylpiperidin-2-yl)-2-methyl-1,3-dioxolan-4-yl]propanoic acid?
3-[2-(1-ethylpiperidin-2-yl)-2-methyl-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-(1-ethylpiperidin-2-yl)-2-methyl-1,3-dioxolan-4-yl]propanoic acid is sourced from PubChem (CID 117169008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).