3-[2-(2-morpholin-4-ylethyl)-1,3-dioxolan-4-yl]propanoic acid

C12H21NO5 — CID 117170146

IUPAC3-[2-(2-morpholin-4-ylethyl)-1,3-dioxolan-4-yl]propanoic acid
SMILESO=C(O)CCC1COC(CCN2CCOCC2)O1
InChIInChI=1S/C12H21NO5/c14-11(15)2-1-10-9-17-12(18-10)3-4-13-5-7-16-8-6-13/h10,12H,1-9H2,(H,14,15)
InChIKeyGAGUXIUIWCNRMH-UHFFFAOYSA-N
MW259.30 g/mol
LogP0.31
Rot. Bonds6

About 3-[2-(2-morpholin-4-ylethyl)-1,3-dioxolan-4-yl]propanoic acid

3-[2-(2-morpholin-4-ylethyl)-1,3-dioxolan-4-yl]propanoic acid (PubChem CID 117170146) has the molecular formula C12H21NO5 and a molecular weight of 259.30 g/mol. Its IUPAC name is 3-[2-(2-morpholin-4-ylethyl)-1,3-dioxolan-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(2-morpholin-4-ylethyl)-1,3-dioxolan-4-yl]propanoic acid
PubChem CID117170146
Molecular FormulaC12H21NO5
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name3-[2-(2-morpholin-4-ylethyl)-1,3-dioxolan-4-yl]propanoic acid
SMILESO=C(O)CCC1COC(CCN2CCOCC2)O1
InChIInChI=1S/C12H21NO5/c14-11(15)2-1-10-9-17-12(18-10)3-4-13-5-7-16-8-6-13/h10,12H,1-9H2,(H,14,15)
InChIKeyGAGUXIUIWCNRMH-UHFFFAOYSA-N
XLogP0.31
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(2-piperidin-1-ylethyl)-1,3-dioxolan-4-yl]propanoic acid
CID 117170145
2-[2-(2-pyrrolidin-1-ylethyl)-1,3-dioxolan-4-yl]ethanamine
CID 117170111
3-[2-[(3-hydroxyphenyl)methyl]-1,3-dioxolan-4-yl]propanoic acid
CID 117169531
3-(2-morpholin-4-ylethylsulfinyl)propanoic acid
CID 60982979
3-(2-morpholin-4-ylethylamino)propanoic acid
CID 28830354
3-[(2S)-4-ethylmorpholin-2-yl]propanoic acid
CID 95426355
3-[methyl(2-morpholin-4-ylethyl)amino]propanoic acid
CID 60987134
3-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-dioxolan-4-yl]propanoic acid
CID 117169611
3-[4-(2-methoxyethyl)morpholin-2-yl]propanoic acid
CID 117008804
2-(2-morpholin-4-ylethylamino)acetic acid
CID 28897547
ethane;3-[(2R)-4-methylmorpholin-2-yl]propanoic acid
CID 145006678
5-(2-morpholin-4-ylethylamino)pentanoic acid
CID 103235757

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-morpholin-4-ylethyl)-1,3-dioxolan-4-yl]propanoic acid?
The IUPAC name of 3-[2-(2-morpholin-4-ylethyl)-1,3-dioxolan-4-yl]propanoic acid (CID 117170146) is 3-[2-(2-morpholin-4-ylethyl)-1,3-dioxolan-4-yl]propanoic acid.
What is the SMILES notation for 3-[2-(2-morpholin-4-ylethyl)-1,3-dioxolan-4-yl]propanoic acid?
The canonical SMILES for 3-[2-(2-morpholin-4-ylethyl)-1,3-dioxolan-4-yl]propanoic acid is O=C(O)CCC1COC(CCN2CCOCC2)O1.
What is the InChIKey of 3-[2-(2-morpholin-4-ylethyl)-1,3-dioxolan-4-yl]propanoic acid?
The InChIKey is GAGUXIUIWCNRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO5/c14-11(15)2-1-10-9-17-12(18-10)3-4-13-5-7-16-8-6-13/h10,12H,1-9H2,(H,14,15).
What are the key properties of 3-[2-(2-morpholin-4-ylethyl)-1,3-dioxolan-4-yl]propanoic acid?
3-[2-(2-morpholin-4-ylethyl)-1,3-dioxolan-4-yl]propanoic acid has a molecular weight of 259.30 g/mol, XLogP of 0.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-morpholin-4-ylethyl)-1,3-dioxolan-4-yl]propanoic acid is sourced from PubChem (CID 117170146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).