5-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]oxolane-2-carboxylic acid

C15H20FNO4 — CID 62300639

IUPAC5-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]oxolane-2-carboxylic acid
SMILESCOc1ccc(CN(C)CC2CCC(C(=O)O)O2)cc1F
InChIInChI=1S/C15H20FNO4/c1-17(9-11-4-6-14(21-11)15(18)19)8-10-3-5-13(20-2)12(16)7-10/h3,5,7,11,14H,4,6,8-9H2,1-2H3,(H,18,19)
InChIKeyAHFRAWCBCDNWCG-UHFFFAOYSA-N
MW297.33 g/mol
LogP1.90
Rot. Bonds6

About 5-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]oxolane-2-carboxylic acid

5-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]oxolane-2-carboxylic acid (PubChem CID 62300639) has the molecular formula C15H20FNO4 and a molecular weight of 297.33 g/mol. Its IUPAC name is 5-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]oxolane-2-carboxylic acid
PubChem CID62300639
Molecular FormulaC15H20FNO4
Molecular Weight297.33 g/mol
Exact Mass297.14
IUPAC Name5-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]oxolane-2-carboxylic acid
SMILESCOc1ccc(CN(C)CC2CCC(C(=O)O)O2)cc1F
InChIInChI=1S/C15H20FNO4/c1-17(9-11-4-6-14(21-11)15(18)19)8-10-3-5-13(20-2)12(16)7-10/h3,5,7,11,14H,4,6,8-9H2,1-2H3,(H,18,19)
InChIKeyAHFRAWCBCDNWCG-UHFFFAOYSA-N
XLogP1.90
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxolane-2-carboxylic acid
CID 62299610
5-[(3,4-difluorophenyl)methyl-methylcarbamoyl]oxolane-2-carboxylic acid
CID 102688105
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 103815646
5-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]oxolane-2-carboxylic acid
CID 107742364
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-methoxy-N-methylethanamine
CID 47014867
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 120797171
(3S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 81125207
3-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119689736
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylmethanamine
CID 78789134
3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62231403
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-methylacetamide
CID 109397833
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82128248

Frequently Asked Questions

What is the IUPAC name of 5-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]oxolane-2-carboxylic acid (CID 62300639) is 5-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]oxolane-2-carboxylic acid is COc1ccc(CN(C)CC2CCC(C(=O)O)O2)cc1F.
What is the InChIKey of 5-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]oxolane-2-carboxylic acid?
The InChIKey is AHFRAWCBCDNWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO4/c1-17(9-11-4-6-14(21-11)15(18)19)8-10-3-5-13(20-2)12(16)7-10/h3,5,7,11,14H,4,6,8-9H2,1-2H3,(H,18,19).
What are the key properties of 5-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]oxolane-2-carboxylic acid?
5-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]oxolane-2-carboxylic acid has a molecular weight of 297.33 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 62300639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).