4-[2-ethoxyethyl(methyl)carbamoyl]morpholine-3-carboxylic acid

C11H20N2O5 — CID 81058113

IUPAC4-[2-ethoxyethyl(methyl)carbamoyl]morpholine-3-carboxylic acid
SMILESCCOCCN(C)C(=O)N1CCOCC1C(=O)O
InChIInChI=1S/C11H20N2O5/c1-3-17-6-4-12(2)11(16)13-5-7-18-8-9(13)10(14)15/h9H,3-8H2,1-2H3,(H,14,15)
InChIKeyINQULZUISVLOEF-UHFFFAOYSA-N
MW260.29 g/mol
LogP-0.14
Rot. Bonds5

About 4-[2-ethoxyethyl(methyl)carbamoyl]morpholine-3-carboxylic acid

4-[2-ethoxyethyl(methyl)carbamoyl]morpholine-3-carboxylic acid (PubChem CID 81058113) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-[2-ethoxyethyl(methyl)carbamoyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-ethoxyethyl(methyl)carbamoyl]morpholine-3-carboxylic acid
PubChem CID81058113
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name4-[2-ethoxyethyl(methyl)carbamoyl]morpholine-3-carboxylic acid
SMILESCCOCCN(C)C(=O)N1CCOCC1C(=O)O
InChIInChI=1S/C11H20N2O5/c1-3-17-6-4-12(2)11(16)13-5-7-18-8-9(13)10(14)15/h9H,3-8H2,1-2H3,(H,14,15)
InChIKeyINQULZUISVLOEF-UHFFFAOYSA-N
XLogP-0.14
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(3-methoxycarbonylmorpholine-4-carbonyl)-methylamino]propanoic acid
CID 113451757
4-[2-hydroxyethyl(2-methoxyethyl)carbamoyl]morpholine-3-carboxylic acid
CID 113467941
2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]acetic acid
CID 83103394
4-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]butanoic acid
CID 83104157
4-(dimethylaminocarbamoyl)morpholine-3-carboxylic acid
CID 83017669
4-(2-propan-2-yloxyacetyl)morpholine-3-carboxylic acid
CID 112555118
4-[(4-hydroxyphenyl)-methylcarbamoyl]morpholine-3-carboxylic acid
CID 107737030
2-[methyl-[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid
CID 83103120
1-[2-ethoxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 81056899
1-[2-ethoxyethyl(ethyl)carbamoyl]piperidine-2-carboxylic acid
CID 55228473
N-(2-aminoethyl)-3-ethyl-N-methylmorpholine-4-carboxamide
CID 82509083
4-[[2-ethoxyethyl(methyl)carbamoyl]-propylamino]oxolane-3-carboxylic acid
CID 81037296

Frequently Asked Questions

What is the IUPAC name of 4-[2-ethoxyethyl(methyl)carbamoyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[2-ethoxyethyl(methyl)carbamoyl]morpholine-3-carboxylic acid (CID 81058113) is 4-[2-ethoxyethyl(methyl)carbamoyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[2-ethoxyethyl(methyl)carbamoyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[2-ethoxyethyl(methyl)carbamoyl]morpholine-3-carboxylic acid is CCOCCN(C)C(=O)N1CCOCC1C(=O)O.
What is the InChIKey of 4-[2-ethoxyethyl(methyl)carbamoyl]morpholine-3-carboxylic acid?
The InChIKey is INQULZUISVLOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-3-17-6-4-12(2)11(16)13-5-7-18-8-9(13)10(14)15/h9H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 4-[2-ethoxyethyl(methyl)carbamoyl]morpholine-3-carboxylic acid?
4-[2-ethoxyethyl(methyl)carbamoyl]morpholine-3-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of -0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-ethoxyethyl(methyl)carbamoyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 81058113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).