5-[[3-(dimethylamino)phenoxy]methyl]oxolane-2-carboxylic acid

C14H19NO4 — CID 62300799

IUPAC5-[[3-(dimethylamino)phenoxy]methyl]oxolane-2-carboxylic acid
SMILESCN(C)c1cccc(OCC2CCC(C(=O)O)O2)c1
InChIInChI=1S/C14H19NO4/c1-15(2)10-4-3-5-11(8-10)18-9-12-6-7-13(19-12)14(16)17/h3-5,8,12-13H,6-7,9H2,1-2H3,(H,16,17)
InChIKeyCZZSUQWBLZNRNW-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.76
Rot. Bonds5

About 5-[[3-(dimethylamino)phenoxy]methyl]oxolane-2-carboxylic acid

5-[[3-(dimethylamino)phenoxy]methyl]oxolane-2-carboxylic acid (PubChem CID 62300799) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-[[3-(dimethylamino)phenoxy]methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[[3-(dimethylamino)phenoxy]methyl]oxolane-2-carboxylic acid
PubChem CID62300799
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name5-[[3-(dimethylamino)phenoxy]methyl]oxolane-2-carboxylic acid
SMILESCN(C)c1cccc(OCC2CCC(C(=O)O)O2)c1
InChIInChI=1S/C14H19NO4/c1-15(2)10-4-3-5-11(8-10)18-9-12-6-7-13(19-12)14(16)17/h3-5,8,12-13H,6-7,9H2,1-2H3,(H,16,17)
InChIKeyCZZSUQWBLZNRNW-UHFFFAOYSA-N
XLogP1.76
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[[3-(dimethylamino)phenoxy]methyl]oxolane-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(dimethylamino)phenoxy]methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[[3-(dimethylamino)phenoxy]methyl]oxolane-2-carboxylic acid (CID 62300799) is 5-[[3-(dimethylamino)phenoxy]methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[[3-(dimethylamino)phenoxy]methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[[3-(dimethylamino)phenoxy]methyl]oxolane-2-carboxylic acid is CN(C)c1cccc(OCC2CCC(C(=O)O)O2)c1.
What is the InChIKey of 5-[[3-(dimethylamino)phenoxy]methyl]oxolane-2-carboxylic acid?
The InChIKey is CZZSUQWBLZNRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-15(2)10-4-3-5-11(8-10)18-9-12-6-7-13(19-12)14(16)17/h3-5,8,12-13H,6-7,9H2,1-2H3,(H,16,17).
What are the key properties of 5-[[3-(dimethylamino)phenoxy]methyl]oxolane-2-carboxylic acid?
5-[[3-(dimethylamino)phenoxy]methyl]oxolane-2-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(dimethylamino)phenoxy]methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 62300799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).