5-[[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]methyl]furan-3-carboxylic acid

C19H23NO5 — CID 138032645

IUPAC5-[[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]methyl]furan-3-carboxylic acid
SMILESCC1(C)CN(Cc2cc(C(=O)O)co2)CC(COc2ccccc2)O1
InChIInChI=1S/C19H23NO5/c1-19(2)13-20(9-16-8-14(11-23-16)18(21)22)10-17(25-19)12-24-15-6-4-3-5-7-15/h3-8,11,17H,9-10,12-13H2,1-2H3,(H,21,22)
InChIKeyINIPCHNUZGOICI-UHFFFAOYSA-N
MW345.39 g/mol
LogP3.04
Rot. Bonds6

About 5-[[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]methyl]furan-3-carboxylic acid

5-[[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]methyl]furan-3-carboxylic acid (PubChem CID 138032645) has the molecular formula C19H23NO5 and a molecular weight of 345.39 g/mol. Its IUPAC name is 5-[[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]methyl]furan-3-carboxylic acid
PubChem CID138032645
Molecular FormulaC19H23NO5
Molecular Weight345.39 g/mol
Exact Mass345.16
IUPAC Name5-[[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]methyl]furan-3-carboxylic acid
SMILESCC1(C)CN(Cc2cc(C(=O)O)co2)CC(COc2ccccc2)O1
InChIInChI=1S/C19H23NO5/c1-19(2)13-20(9-16-8-14(11-23-16)18(21)22)10-17(25-19)12-24-15-6-4-3-5-7-15/h3-8,11,17H,9-10,12-13H2,1-2H3,(H,21,22)
InChIKeyINIPCHNUZGOICI-UHFFFAOYSA-N
XLogP3.04
TPSA72.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]methyl]furan-3-carboxylic acid?
The IUPAC name of 5-[[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]methyl]furan-3-carboxylic acid (CID 138032645) is 5-[[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]methyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]methyl]furan-3-carboxylic acid is CC1(C)CN(Cc2cc(C(=O)O)co2)CC(COc2ccccc2)O1.
What is the InChIKey of 5-[[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]methyl]furan-3-carboxylic acid?
The InChIKey is INIPCHNUZGOICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5/c1-19(2)13-20(9-16-8-14(11-23-16)18(21)22)10-17(25-19)12-24-15-6-4-3-5-7-15/h3-8,11,17H,9-10,12-13H2,1-2H3,(H,21,22).
What are the key properties of 5-[[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]methyl]furan-3-carboxylic acid?
5-[[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]methyl]furan-3-carboxylic acid has a molecular weight of 345.39 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 138032645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).