5-(3,5-dimethylmorpholine-4-carbonyl)-2-ethylfuran-3-carboxylic acid

C14H19NO5 — CID 120822008

IUPAC5-(3,5-dimethylmorpholine-4-carbonyl)-2-ethylfuran-3-carboxylic acid
SMILESCCc1oc(C(=O)N2C(C)COCC2C)cc1C(=O)O
InChIInChI=1S/C14H19NO5/c1-4-11-10(14(17)18)5-12(20-11)13(16)15-8(2)6-19-7-9(15)3/h5,8-9H,4,6-7H2,1-3H3,(H,17,18)
InChIKeyZFVLDJQLQSXTPW-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.79
Rot. Bonds3

About 5-(3,5-dimethylmorpholine-4-carbonyl)-2-ethylfuran-3-carboxylic acid

5-(3,5-dimethylmorpholine-4-carbonyl)-2-ethylfuran-3-carboxylic acid (PubChem CID 120822008) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 5-(3,5-dimethylmorpholine-4-carbonyl)-2-ethylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-(3,5-dimethylmorpholine-4-carbonyl)-2-ethylfuran-3-carboxylic acid
PubChem CID120822008
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name5-(3,5-dimethylmorpholine-4-carbonyl)-2-ethylfuran-3-carboxylic acid
SMILESCCc1oc(C(=O)N2C(C)COCC2C)cc1C(=O)O
InChIInChI=1S/C14H19NO5/c1-4-11-10(14(17)18)5-12(20-11)13(16)15-8(2)6-19-7-9(15)3/h5,8-9H,4,6-7H2,1-3H3,(H,17,18)
InChIKeyZFVLDJQLQSXTPW-UHFFFAOYSA-N
XLogP1.79
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-5-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)furan-3-carboxylic acid
CID 120820891
5-(4-acetylpiperazine-1-carbonyl)-2-ethylfuran-3-carboxylic acid
CID 120820566
5-(2,6-dimethylazepane-1-carbonyl)-2-ethylfuran-3-carboxylic acid
CID 120821924
5-(1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl)-2-ethylfuran-3-carboxylic acid
CID 120822361
2-ethyl-5-(2-methyl-4-phenylpyrrolidine-1-carbonyl)furan-3-carboxylic acid
CID 120822598
2-ethyl-5-(4-ethyl-4-hydroxypiperidine-1-carbonyl)furan-3-carboxylic acid
CID 120822043
2-ethyl-5-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]furan-3-carboxylic acid
CID 120821164
2-ethyl-5-(4-ethylazepane-1-carbonyl)furan-3-carboxylic acid
CID 120822394
2-ethyl-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)furan-3-carboxylic acid
CID 120820779
2-ethyl-5-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)furan-3-carboxylic acid
CID 120822739
2-ethyl-5-(7-methyl-2,3-dihydroindole-1-carbonyl)furan-3-carboxylic acid
CID 120822430
2-ethyl-5-[2-(2-methylpropyl)piperidine-1-carbonyl]furan-3-carboxylic acid
CID 120822409

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylmorpholine-4-carbonyl)-2-ethylfuran-3-carboxylic acid?
The IUPAC name of 5-(3,5-dimethylmorpholine-4-carbonyl)-2-ethylfuran-3-carboxylic acid (CID 120822008) is 5-(3,5-dimethylmorpholine-4-carbonyl)-2-ethylfuran-3-carboxylic acid.
What is the SMILES notation for 5-(3,5-dimethylmorpholine-4-carbonyl)-2-ethylfuran-3-carboxylic acid?
The canonical SMILES for 5-(3,5-dimethylmorpholine-4-carbonyl)-2-ethylfuran-3-carboxylic acid is CCc1oc(C(=O)N2C(C)COCC2C)cc1C(=O)O.
What is the InChIKey of 5-(3,5-dimethylmorpholine-4-carbonyl)-2-ethylfuran-3-carboxylic acid?
The InChIKey is ZFVLDJQLQSXTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-4-11-10(14(17)18)5-12(20-11)13(16)15-8(2)6-19-7-9(15)3/h5,8-9H,4,6-7H2,1-3H3,(H,17,18).
What are the key properties of 5-(3,5-dimethylmorpholine-4-carbonyl)-2-ethylfuran-3-carboxylic acid?
5-(3,5-dimethylmorpholine-4-carbonyl)-2-ethylfuran-3-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylmorpholine-4-carbonyl)-2-ethylfuran-3-carboxylic acid is sourced from PubChem (CID 120822008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).