5-[1-[3-(ethylcarbamoyl)morpholin-4-yl]ethyl]furan-2-carboxylic acid

C14H20N2O5 — CID 83100910

IUPAC5-[1-[3-(ethylcarbamoyl)morpholin-4-yl]ethyl]furan-2-carboxylic acid
SMILESCCNC(=O)C1COCCN1C(C)c1ccc(C(=O)O)o1
InChIInChI=1S/C14H20N2O5/c1-3-15-13(17)10-8-20-7-6-16(10)9(2)11-4-5-12(21-11)14(18)19/h4-5,9-10H,3,6-8H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyVRQBWGPTYUIZJC-UHFFFAOYSA-N
MW296.32 g/mol
LogP0.88
Rot. Bonds5

About 5-[1-[3-(ethylcarbamoyl)morpholin-4-yl]ethyl]furan-2-carboxylic acid

5-[1-[3-(ethylcarbamoyl)morpholin-4-yl]ethyl]furan-2-carboxylic acid (PubChem CID 83100910) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 5-[1-[3-(ethylcarbamoyl)morpholin-4-yl]ethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-[3-(ethylcarbamoyl)morpholin-4-yl]ethyl]furan-2-carboxylic acid
PubChem CID83100910
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name5-[1-[3-(ethylcarbamoyl)morpholin-4-yl]ethyl]furan-2-carboxylic acid
SMILESCCNC(=O)C1COCCN1C(C)c1ccc(C(=O)O)o1
InChIInChI=1S/C14H20N2O5/c1-3-15-13(17)10-8-20-7-6-16(10)9(2)11-4-5-12(21-11)14(18)19/h4-5,9-10H,3,6-8H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyVRQBWGPTYUIZJC-UHFFFAOYSA-N
XLogP0.88
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-amino-1-phenylpropyl)-N-ethylmorpholine-3-carboxamide
CID 83097771
4-[2-amino-1-(5-methylfuran-2-yl)ethyl]-N-ethylmorpholine-3-carboxamide
CID 83106718
2-[3-(ethylcarbamoyl)morpholin-4-yl]butanoic acid
CID 83099705
4-[3-(ethylcarbamoyl)morpholin-4-yl]pentanoic acid
CID 83100771
2-[3-(ethylcarbamoyl)morpholin-4-yl]pentanoic acid
CID 83100616
4-(1-amino-1-oxobutan-2-yl)-N-ethylmorpholine-3-carboxamide
CID 83103788
4-(4-amino-2,2-dimethylpentan-3-yl)-N-ethylmorpholine-3-carboxamide
CID 83106921
4-(1-aminopentan-3-yl)-N-ethylmorpholine-3-carboxamide
CID 83106656
5-[3-(ethylcarbamoyl)morpholin-4-yl]thiophene-2-carboxylic acid
CID 83100843
4-[4-(aminomethyl)-2-chlorophenyl]-N-ethylmorpholine-3-carboxamide
CID 83106357
5-[1-(2-ethylpyrrolidin-1-yl)ethyl]furan-2-carboxylic acid
CID 79083753
5-[1-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]furan-2-carboxylic acid
CID 79084540

Frequently Asked Questions

What is the IUPAC name of 5-[1-[3-(ethylcarbamoyl)morpholin-4-yl]ethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[1-[3-(ethylcarbamoyl)morpholin-4-yl]ethyl]furan-2-carboxylic acid (CID 83100910) is 5-[1-[3-(ethylcarbamoyl)morpholin-4-yl]ethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[1-[3-(ethylcarbamoyl)morpholin-4-yl]ethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[1-[3-(ethylcarbamoyl)morpholin-4-yl]ethyl]furan-2-carboxylic acid is CCNC(=O)C1COCCN1C(C)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[1-[3-(ethylcarbamoyl)morpholin-4-yl]ethyl]furan-2-carboxylic acid?
The InChIKey is VRQBWGPTYUIZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-3-15-13(17)10-8-20-7-6-16(10)9(2)11-4-5-12(21-11)14(18)19/h4-5,9-10H,3,6-8H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 5-[1-[3-(ethylcarbamoyl)morpholin-4-yl]ethyl]furan-2-carboxylic acid?
5-[1-[3-(ethylcarbamoyl)morpholin-4-yl]ethyl]furan-2-carboxylic acid has a molecular weight of 296.32 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[3-(ethylcarbamoyl)morpholin-4-yl]ethyl]furan-2-carboxylic acid is sourced from PubChem (CID 83100910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).