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

C15H21NO4 — CID 62299610

IUPAC5-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxolane-2-carboxylic acid
SMILESCOc1ccc(CN(C)CC2CCC(C(=O)O)O2)cc1
InChIInChI=1S/C15H21NO4/c1-16(9-11-3-5-12(19-2)6-4-11)10-13-7-8-14(20-13)15(17)18/h3-6,13-14H,7-10H2,1-2H3,(H,17,18)
InChIKeyBILRERVKHGZNGI-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.76
Rot. Bonds6

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

5-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxolane-2-carboxylic acid (PubChem CID 62299610) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 5-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxolane-2-carboxylic acid
PubChem CID62299610
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name5-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxolane-2-carboxylic acid
SMILESCOc1ccc(CN(C)CC2CCC(C(=O)O)O2)cc1
InChIInChI=1S/C15H21NO4/c1-16(9-11-3-5-12(19-2)6-4-11)10-13-7-8-14(20-13)15(17)18/h3-6,13-14H,7-10H2,1-2H3,(H,17,18)
InChIKeyBILRERVKHGZNGI-UHFFFAOYSA-N
XLogP1.76
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]oxolane-2-carboxylic acid
CID 62300639
[5-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxolan-2-yl]methanamine
CID 62436799
4-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-one
CID 115240195
3-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxan-4-ol
CID 103061404
5-[(4-hydroxyphenyl)methyl-methylcarbamoyl]oxolane-2-carboxylic acid
CID 102688209
N-cycloheptyl-N'-[(4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 62575486
5-[[(2-amino-2-oxoethyl)-methylamino]methyl]oxolane-2-carboxylic acid
CID 62298720
5-[[4-(3-oxobutyl)phenoxy]methyl]oxolane-2-carboxylic acid
CID 62301158
1-(2,6-dimethylmorpholin-4-yl)-2-[(4-methoxyphenyl)methyl-methylamino]ethanone
CID 86911554
5-[(3,4-dimethylphenoxy)methyl]oxolane-2-carboxylic acid
CID 62299571
5-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]oxolane-2-carboxylic acid
CID 107742364
4-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxane-4-carboxylic acid
CID 62390142

Frequently Asked Questions

What is the IUPAC name of 5-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxolane-2-carboxylic acid (CID 62299610) is 5-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxolane-2-carboxylic acid is COc1ccc(CN(C)CC2CCC(C(=O)O)O2)cc1.
What is the InChIKey of 5-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxolane-2-carboxylic acid?
The InChIKey is BILRERVKHGZNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-16(9-11-3-5-12(19-2)6-4-11)10-13-7-8-14(20-13)15(17)18/h3-6,13-14H,7-10H2,1-2H3,(H,17,18).
What are the key properties of 5-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxolane-2-carboxylic acid?
5-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxolane-2-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 62299610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).