5-(2-ethylmorpholine-4-carbonyl)furan-3-carboxylic acid

C12H15NO5 — CID 113432240

IUPAC5-(2-ethylmorpholine-4-carbonyl)furan-3-carboxylic acid
SMILESCCC1CN(C(=O)c2cc(C(=O)O)co2)CCO1
InChIInChI=1S/C12H15NO5/c1-2-9-6-13(3-4-17-9)11(14)10-5-8(7-18-10)12(15)16/h5,7,9H,2-4,6H2,1H3,(H,15,16)
InChIKeyJDZSZNCVDWFTMB-UHFFFAOYSA-N
MW253.25 g/mol
LogP1.23
Rot. Bonds3

About 5-(2-ethylmorpholine-4-carbonyl)furan-3-carboxylic acid

5-(2-ethylmorpholine-4-carbonyl)furan-3-carboxylic acid (PubChem CID 113432240) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is 5-(2-ethylmorpholine-4-carbonyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-ethylmorpholine-4-carbonyl)furan-3-carboxylic acid
PubChem CID113432240
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name5-(2-ethylmorpholine-4-carbonyl)furan-3-carboxylic acid
SMILESCCC1CN(C(=O)c2cc(C(=O)O)co2)CCO1
InChIInChI=1S/C12H15NO5/c1-2-9-6-13(3-4-17-9)11(14)10-5-8(7-18-10)12(15)16/h5,7,9H,2-4,6H2,1H3,(H,15,16)
InChIKeyJDZSZNCVDWFTMB-UHFFFAOYSA-N
XLogP1.23
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-ethylmorpholine-4-carbonyl)benzoic acid
CID 43563067
5-(3-propan-2-ylpyrrolidine-1-carbonyl)furan-3-carboxylic acid
CID 104607879
2-ethylmorpholine-4-carboxylic acid
CID 121455686
(2-ethylmorpholin-4-yl)-(4-sulfanylphenyl)methanone
CID 107023047
4-[3-(2-ethylmorpholin-4-yl)-3-oxopropyl]benzoic acid
CID 119182801
(4-bromo-3-methylphenyl)-(2-ethylmorpholin-4-yl)methanone
CID 112705730
5-[(4-methylmorpholin-2-yl)methylcarbamoyl]furan-3-carboxylic acid
CID 113432368
1,3-benzodioxol-5-yl-(2-ethylmorpholin-4-yl)methanone
CID 43070650
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)furan-3-carboxylic acid
CID 104607794
(2-ethylmorpholin-4-yl)-(4-methylsulfonylphenyl)methanone
CID 43070670
[(2S)-2-ethylmorpholin-4-yl]-[3-[[(R)-methylsulfinyl]methyl]phenyl]methanone
CID 94014410
1-[(2R)-2-ethylmorpholin-4-yl]-2,2-dimethylpropan-1-one
CID 166684101

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylmorpholine-4-carbonyl)furan-3-carboxylic acid?
The IUPAC name of 5-(2-ethylmorpholine-4-carbonyl)furan-3-carboxylic acid (CID 113432240) is 5-(2-ethylmorpholine-4-carbonyl)furan-3-carboxylic acid.
What is the SMILES notation for 5-(2-ethylmorpholine-4-carbonyl)furan-3-carboxylic acid?
The canonical SMILES for 5-(2-ethylmorpholine-4-carbonyl)furan-3-carboxylic acid is CCC1CN(C(=O)c2cc(C(=O)O)co2)CCO1.
What is the InChIKey of 5-(2-ethylmorpholine-4-carbonyl)furan-3-carboxylic acid?
The InChIKey is JDZSZNCVDWFTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5/c1-2-9-6-13(3-4-17-9)11(14)10-5-8(7-18-10)12(15)16/h5,7,9H,2-4,6H2,1H3,(H,15,16).
What are the key properties of 5-(2-ethylmorpholine-4-carbonyl)furan-3-carboxylic acid?
5-(2-ethylmorpholine-4-carbonyl)furan-3-carboxylic acid has a molecular weight of 253.25 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylmorpholine-4-carbonyl)furan-3-carboxylic acid is sourced from PubChem (CID 113432240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).