5-[[(4-fluorophenyl)methyl-methylamino]methyl]oxolane-2-carboxylic acid

C14H18FNO3 — CID 55053710

IUPAC5-[[(4-fluorophenyl)methyl-methylamino]methyl]oxolane-2-carboxylic acid
SMILESCN(Cc1ccc(F)cc1)CC1CCC(C(=O)O)O1
InChIInChI=1S/C14H18FNO3/c1-16(8-10-2-4-11(15)5-3-10)9-12-6-7-13(19-12)14(17)18/h2-5,12-13H,6-9H2,1H3,(H,17,18)
InChIKeyHSXQYDCRHIWTQR-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.89
Rot. Bonds5

About 5-[[(4-fluorophenyl)methyl-methylamino]methyl]oxolane-2-carboxylic acid

5-[[(4-fluorophenyl)methyl-methylamino]methyl]oxolane-2-carboxylic acid (PubChem CID 55053710) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 5-[[(4-fluorophenyl)methyl-methylamino]methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(4-fluorophenyl)methyl-methylamino]methyl]oxolane-2-carboxylic acid
PubChem CID55053710
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name5-[[(4-fluorophenyl)methyl-methylamino]methyl]oxolane-2-carboxylic acid
SMILESCN(Cc1ccc(F)cc1)CC1CCC(C(=O)O)O1
InChIInChI=1S/C14H18FNO3/c1-16(8-10-2-4-11(15)5-3-10)9-12-6-7-13(19-12)14(17)18/h2-5,12-13H,6-9H2,1H3,(H,17,18)
InChIKeyHSXQYDCRHIWTQR-UHFFFAOYSA-N
XLogP1.89
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[(4-fluorophenyl)methyl-methylamino]methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[[(4-fluorophenyl)methyl-methylamino]methyl]oxolane-2-carboxylic acid (CID 55053710) is 5-[[(4-fluorophenyl)methyl-methylamino]methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[[(4-fluorophenyl)methyl-methylamino]methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[[(4-fluorophenyl)methyl-methylamino]methyl]oxolane-2-carboxylic acid is CN(Cc1ccc(F)cc1)CC1CCC(C(=O)O)O1.
What is the InChIKey of 5-[[(4-fluorophenyl)methyl-methylamino]methyl]oxolane-2-carboxylic acid?
The InChIKey is HSXQYDCRHIWTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-16(8-10-2-4-11(15)5-3-10)9-12-6-7-13(19-12)14(17)18/h2-5,12-13H,6-9H2,1H3,(H,17,18).
What are the key properties of 5-[[(4-fluorophenyl)methyl-methylamino]methyl]oxolane-2-carboxylic acid?
5-[[(4-fluorophenyl)methyl-methylamino]methyl]oxolane-2-carboxylic acid has a molecular weight of 267.30 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-fluorophenyl)methyl-methylamino]methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 55053710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).