3-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]oxolane-3-carboxylic acid

C13H25NO5 — CID 55055462

IUPAC3-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]oxolane-3-carboxylic acid
SMILESCOCCN(CC1(C(=O)O)CCOC1)C(C)COC
InChIInChI=1S/C13H25NO5/c1-11(8-18-3)14(5-7-17-2)9-13(12(15)16)4-6-19-10-13/h11H,4-10H2,1-3H3,(H,15,16)
InChIKeyJLROHBXXZOOHMS-UHFFFAOYSA-N
MW275.34 g/mol
LogP0.46
Rot. Bonds9

About 3-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]oxolane-3-carboxylic acid

3-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]oxolane-3-carboxylic acid (PubChem CID 55055462) has the molecular formula C13H25NO5 and a molecular weight of 275.34 g/mol. Its IUPAC name is 3-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]oxolane-3-carboxylic acid
PubChem CID55055462
Molecular FormulaC13H25NO5
Molecular Weight275.34 g/mol
Exact Mass275.17
IUPAC Name3-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]oxolane-3-carboxylic acid
SMILESCOCCN(CC1(C(=O)O)CCOC1)C(C)COC
InChIInChI=1S/C13H25NO5/c1-11(8-18-3)14(5-7-17-2)9-13(12(15)16)4-6-19-10-13/h11H,4-10H2,1-3H3,(H,15,16)
InChIKeyJLROHBXXZOOHMS-UHFFFAOYSA-N
XLogP0.46
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]oxolane-3-carboxylic acid?
The IUPAC name of 3-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]oxolane-3-carboxylic acid (CID 55055462) is 3-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]oxolane-3-carboxylic acid is COCCN(CC1(C(=O)O)CCOC1)C(C)COC.
What is the InChIKey of 3-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]oxolane-3-carboxylic acid?
The InChIKey is JLROHBXXZOOHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO5/c1-11(8-18-3)14(5-7-17-2)9-13(12(15)16)4-6-19-10-13/h11H,4-10H2,1-3H3,(H,15,16).
What are the key properties of 3-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]oxolane-3-carboxylic acid?
3-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]oxolane-3-carboxylic acid has a molecular weight of 275.34 g/mol, XLogP of 0.46, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]oxolane-3-carboxylic acid is sourced from PubChem (CID 55055462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).