4-[[(2R)-2-(methoxymethyl)-2-methylmorpholin-4-yl]methyl]-5-methylthiophene-2-carboxylic acid

C14H21NO4S — CID 164641944

IUPAC4-[[(2R)-2-(methoxymethyl)-2-methylmorpholin-4-yl]methyl]-5-methylthiophene-2-carboxylic acid
SMILESCOC[C@@]1(C)CN(Cc2cc(C(=O)O)sc2C)CCO1
InChIInChI=1S/C14H21NO4S/c1-10-11(6-12(20-10)13(16)17)7-15-4-5-19-14(2,8-15)9-18-3/h6H,4-5,7-9H2,1-3H3,(H,16,17)/t14-/m1/s1
InChIKeyRBNUXPHPXQQLTP-CQSZACIVSA-N
MW299.39 g/mol
LogP1.99
Rot. Bonds5

About 4-[[(2R)-2-(methoxymethyl)-2-methylmorpholin-4-yl]methyl]-5-methylthiophene-2-carboxylic acid

4-[[(2R)-2-(methoxymethyl)-2-methylmorpholin-4-yl]methyl]-5-methylthiophene-2-carboxylic acid (PubChem CID 164641944) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is 4-[[(2R)-2-(methoxymethyl)-2-methylmorpholin-4-yl]methyl]-5-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[[(2R)-2-(methoxymethyl)-2-methylmorpholin-4-yl]methyl]-5-methylthiophene-2-carboxylic acid
PubChem CID164641944
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name4-[[(2R)-2-(methoxymethyl)-2-methylmorpholin-4-yl]methyl]-5-methylthiophene-2-carboxylic acid
SMILESCOC[C@@]1(C)CN(Cc2cc(C(=O)O)sc2C)CCO1
InChIInChI=1S/C14H21NO4S/c1-10-11(6-12(20-10)13(16)17)7-15-4-5-19-14(2,8-15)9-18-3/h6H,4-5,7-9H2,1-3H3,(H,16,17)/t14-/m1/s1
InChIKeyRBNUXPHPXQQLTP-CQSZACIVSA-N
XLogP1.99
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-(methoxymethyl)-2-methylmorpholin-4-yl]methyl]-5-methylthiophene-2-carboxylic acid?
The IUPAC name of 4-[[(2R)-2-(methoxymethyl)-2-methylmorpholin-4-yl]methyl]-5-methylthiophene-2-carboxylic acid (CID 164641944) is 4-[[(2R)-2-(methoxymethyl)-2-methylmorpholin-4-yl]methyl]-5-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-[[(2R)-2-(methoxymethyl)-2-methylmorpholin-4-yl]methyl]-5-methylthiophene-2-carboxylic acid?
The canonical SMILES for 4-[[(2R)-2-(methoxymethyl)-2-methylmorpholin-4-yl]methyl]-5-methylthiophene-2-carboxylic acid is COC[C@@]1(C)CN(Cc2cc(C(=O)O)sc2C)CCO1.
What is the InChIKey of 4-[[(2R)-2-(methoxymethyl)-2-methylmorpholin-4-yl]methyl]-5-methylthiophene-2-carboxylic acid?
The InChIKey is RBNUXPHPXQQLTP-CQSZACIVSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-10-11(6-12(20-10)13(16)17)7-15-4-5-19-14(2,8-15)9-18-3/h6H,4-5,7-9H2,1-3H3,(H,16,17)/t14-/m1/s1.
What are the key properties of 4-[[(2R)-2-(methoxymethyl)-2-methylmorpholin-4-yl]methyl]-5-methylthiophene-2-carboxylic acid?
4-[[(2R)-2-(methoxymethyl)-2-methylmorpholin-4-yl]methyl]-5-methylthiophene-2-carboxylic acid has a molecular weight of 299.39 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-(methoxymethyl)-2-methylmorpholin-4-yl]methyl]-5-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 164641944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).