4-(2-methoxyethoxy)-3-morpholin-4-yl-4-oxobutanoic acid

C11H19NO6 — CID 3161128

IUPAC4-(2-methoxyethoxy)-3-morpholin-4-yl-4-oxobutanoic acid
SMILESCOCCOC(=O)C(CC(=O)O)N1CCOCC1
InChIInChI=1S/C11H19NO6/c1-16-6-7-18-11(15)9(8-10(13)14)12-2-4-17-5-3-12/h9H,2-8H2,1H3,(H,13,14)
InChIKeyYIGCKFFLRKUIIW-UHFFFAOYSA-N
MW261.27 g/mol
LogP-0.65
Rot. Bonds7

About 4-(2-methoxyethoxy)-3-morpholin-4-yl-4-oxobutanoic acid

4-(2-methoxyethoxy)-3-morpholin-4-yl-4-oxobutanoic acid (PubChem CID 3161128) has the molecular formula C11H19NO6 and a molecular weight of 261.27 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-3-morpholin-4-yl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-3-morpholin-4-yl-4-oxobutanoic acid
PubChem CID3161128
Molecular FormulaC11H19NO6
Molecular Weight261.27 g/mol
Exact Mass261.12
IUPAC Name4-(2-methoxyethoxy)-3-morpholin-4-yl-4-oxobutanoic acid
SMILESCOCCOC(=O)C(CC(=O)O)N1CCOCC1
InChIInChI=1S/C11H19NO6/c1-16-6-7-18-11(15)9(8-10(13)14)12-2-4-17-5-3-12/h9H,2-8H2,1H3,(H,13,14)
InChIKeyYIGCKFFLRKUIIW-UHFFFAOYSA-N
XLogP-0.65
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-3-morpholin-4-yl-4-oxobutanoic acid?
The IUPAC name of 4-(2-methoxyethoxy)-3-morpholin-4-yl-4-oxobutanoic acid (CID 3161128) is 4-(2-methoxyethoxy)-3-morpholin-4-yl-4-oxobutanoic acid.
What is the SMILES notation for 4-(2-methoxyethoxy)-3-morpholin-4-yl-4-oxobutanoic acid?
The canonical SMILES for 4-(2-methoxyethoxy)-3-morpholin-4-yl-4-oxobutanoic acid is COCCOC(=O)C(CC(=O)O)N1CCOCC1.
What is the InChIKey of 4-(2-methoxyethoxy)-3-morpholin-4-yl-4-oxobutanoic acid?
The InChIKey is YIGCKFFLRKUIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO6/c1-16-6-7-18-11(15)9(8-10(13)14)12-2-4-17-5-3-12/h9H,2-8H2,1H3,(H,13,14).
What are the key properties of 4-(2-methoxyethoxy)-3-morpholin-4-yl-4-oxobutanoic acid?
4-(2-methoxyethoxy)-3-morpholin-4-yl-4-oxobutanoic acid has a molecular weight of 261.27 g/mol, XLogP of -0.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-3-morpholin-4-yl-4-oxobutanoic acid is sourced from PubChem (CID 3161128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).