5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]furan-2-carboxylic acid

C13H19NO4 — CID 61423944

IUPAC5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]furan-2-carboxylic acid
SMILESCCC1COC(C)CN1Cc1ccc(C(=O)O)o1
InChIInChI=1S/C13H19NO4/c1-3-10-8-17-9(2)6-14(10)7-11-4-5-12(18-11)13(15)16/h4-5,9-10H,3,6-8H2,1-2H3,(H,15,16)
InChIKeyMXBJJEMZZRLAEP-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.98
Rot. Bonds4

About 5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]furan-2-carboxylic acid

5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]furan-2-carboxylic acid (PubChem CID 61423944) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]furan-2-carboxylic acid
PubChem CID61423944
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]furan-2-carboxylic acid
SMILESCCC1COC(C)CN1Cc1ccc(C(=O)O)o1
InChIInChI=1S/C13H19NO4/c1-3-10-8-17-9(2)6-14(10)7-11-4-5-12(18-11)13(15)16/h4-5,9-10H,3,6-8H2,1-2H3,(H,15,16)
InChIKeyMXBJJEMZZRLAEP-UHFFFAOYSA-N
XLogP1.98
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]phenyl]methanol
CID 112631185
3-chloro-4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzoic acid
CID 102669918
[4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]phenyl]methanamine
CID 43575811
2-chloro-5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]aniline
CID 43575083
2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-fluorobenzoic acid
CID 107907776
4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzonitrile
CID 60690951
5-[[(2R)-2-methylpiperidin-1-yl]methyl]furan-2-carboxylic acid
CID 42233591
methyl 4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-2-fluorobenzoate
CID 103749215
5-[(2-methylpiperidin-1-yl)methyl]furan-2-carboxylic acid;hydrochloride
CID 171134030
3-[2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]phenyl]prop-2-enoic acid
CID 76909172
2-[4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]phenyl]propan-1-amine
CID 105347526
methyl 2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzoate
CID 82969020

Frequently Asked Questions

What is the IUPAC name of 5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]furan-2-carboxylic acid (CID 61423944) is 5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]furan-2-carboxylic acid is CCC1COC(C)CN1Cc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]furan-2-carboxylic acid?
The InChIKey is MXBJJEMZZRLAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-3-10-8-17-9(2)6-14(10)7-11-4-5-12(18-11)13(15)16/h4-5,9-10H,3,6-8H2,1-2H3,(H,15,16).
What are the key properties of 5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]furan-2-carboxylic acid?
5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]furan-2-carboxylic acid has a molecular weight of 253.30 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 61423944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).