5-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]oxolane-2-carboxylic acid

C15H20FNO3 — CID 62979551

IUPAC5-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]oxolane-2-carboxylic acid
SMILESCC(c1ccccc1F)N(C)CC1CCC(C(=O)O)O1
InChIInChI=1S/C15H20FNO3/c1-10(12-5-3-4-6-13(12)16)17(2)9-11-7-8-14(20-11)15(18)19/h3-6,10-11,14H,7-9H2,1-2H3,(H,18,19)
InChIKeyGISPDVWEMJKKAS-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.45
Rot. Bonds5

About 5-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]oxolane-2-carboxylic acid

5-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]oxolane-2-carboxylic acid (PubChem CID 62979551) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 5-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]oxolane-2-carboxylic acid
PubChem CID62979551
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name5-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]oxolane-2-carboxylic acid
SMILESCC(c1ccccc1F)N(C)CC1CCC(C(=O)O)O1
InChIInChI=1S/C15H20FNO3/c1-10(12-5-3-4-6-13(12)16)17(2)9-11-7-8-14(20-11)15(18)19/h3-6,10-11,14H,7-9H2,1-2H3,(H,18,19)
InChIKeyGISPDVWEMJKKAS-UHFFFAOYSA-N
XLogP2.45
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-fluorophenyl)ethyl-methylamino]acetic acid
CID 62979540
5-[(2-fluorophenoxy)methyl]oxolane-2-carboxylic acid
CID 62299212
5-[[1-cyanopropan-2-yl(methyl)amino]methyl]oxolane-2-carboxylic acid
CID 63223023
hydrazinyl 3-[1-(2-fluorophenyl)ethyl-methylamino]propanoate
CID 66338215
1-(2-fluorophenyl)-N-methyl-N-(2-piperidin-4-ylethyl)ethanamine
CID 62984190
2-[1-(2-fluorophenyl)ethyl-methylamino]-N-(2-hydroxyethyl)acetamide
CID 55140277
N-cyclopropyl-N'-[1-(2-fluorophenyl)ethyl]-N',2-dimethylpropane-1,3-diamine
CID 62985981
N-cyclopropyl-N'-[1-(2-fluorophenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 62986091
2-[1-(2-fluorophenyl)ethyl-methylamino]-1-piperazin-1-ylethanone
CID 61018397
trans-(1S,3S)-3-[[(1R)-1-(2-fluorophenyl)ethyl]-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124552997
cis-(1R,3S)-3-[[(1R)-1-(2-fluorophenyl)ethyl]-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124778911
1-[1-(2-fluorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 62980625

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]oxolane-2-carboxylic acid (CID 62979551) is 5-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]oxolane-2-carboxylic acid is CC(c1ccccc1F)N(C)CC1CCC(C(=O)O)O1.
What is the InChIKey of 5-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]oxolane-2-carboxylic acid?
The InChIKey is GISPDVWEMJKKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-10(12-5-3-4-6-13(12)16)17(2)9-11-7-8-14(20-11)15(18)19/h3-6,10-11,14H,7-9H2,1-2H3,(H,18,19).
What are the key properties of 5-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]oxolane-2-carboxylic acid?
5-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]oxolane-2-carboxylic acid has a molecular weight of 281.33 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 62979551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).