4-ethoxy-3-morpholin-4-yl-4-oxobutanoic acid

C10H17NO5 — CID 3312061

IUPAC4-ethoxy-3-morpholin-4-yl-4-oxobutanoic acid
SMILESCCOC(=O)C(CC(=O)O)N1CCOCC1
InChIInChI=1S/C10H17NO5/c1-2-16-10(14)8(7-9(12)13)11-3-5-15-6-4-11/h8H,2-7H2,1H3,(H,12,13)
InChIKeyHUIUJQZNXWVEBO-UHFFFAOYSA-N
MW231.25 g/mol
LogP-0.28
Rot. Bonds5

About 4-ethoxy-3-morpholin-4-yl-4-oxobutanoic acid

4-ethoxy-3-morpholin-4-yl-4-oxobutanoic acid (PubChem CID 3312061) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is 4-ethoxy-3-morpholin-4-yl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-ethoxy-3-morpholin-4-yl-4-oxobutanoic acid
PubChem CID3312061
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name4-ethoxy-3-morpholin-4-yl-4-oxobutanoic acid
SMILESCCOC(=O)C(CC(=O)O)N1CCOCC1
InChIInChI=1S/C10H17NO5/c1-2-16-10(14)8(7-9(12)13)11-3-5-15-6-4-11/h8H,2-7H2,1H3,(H,12,13)
InChIKeyHUIUJQZNXWVEBO-UHFFFAOYSA-N
XLogP-0.28
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-morpholin-4-yl-4-oxobutanoic acid?
The IUPAC name of 4-ethoxy-3-morpholin-4-yl-4-oxobutanoic acid (CID 3312061) is 4-ethoxy-3-morpholin-4-yl-4-oxobutanoic acid.
What is the SMILES notation for 4-ethoxy-3-morpholin-4-yl-4-oxobutanoic acid?
The canonical SMILES for 4-ethoxy-3-morpholin-4-yl-4-oxobutanoic acid is CCOC(=O)C(CC(=O)O)N1CCOCC1.
What is the InChIKey of 4-ethoxy-3-morpholin-4-yl-4-oxobutanoic acid?
The InChIKey is HUIUJQZNXWVEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c1-2-16-10(14)8(7-9(12)13)11-3-5-15-6-4-11/h8H,2-7H2,1H3,(H,12,13).
What are the key properties of 4-ethoxy-3-morpholin-4-yl-4-oxobutanoic acid?
4-ethoxy-3-morpholin-4-yl-4-oxobutanoic acid has a molecular weight of 231.25 g/mol, XLogP of -0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-morpholin-4-yl-4-oxobutanoic acid is sourced from PubChem (CID 3312061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).