5-(3-ethylmorpholin-4-yl)-5-oxopentanoic acid

C11H19NO4 — CID 43611838

IUPAC5-(3-ethylmorpholin-4-yl)-5-oxopentanoic acid
SMILESCCC1COCCN1C(=O)CCCC(=O)O
InChIInChI=1S/C11H19NO4/c1-2-9-8-16-7-6-12(9)10(13)4-3-5-11(14)15/h9H,2-8H2,1H3,(H,14,15)
InChIKeySHPUVQLLQDVYOP-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.88
Rot. Bonds5

About 5-(3-ethylmorpholin-4-yl)-5-oxopentanoic acid

5-(3-ethylmorpholin-4-yl)-5-oxopentanoic acid (PubChem CID 43611838) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 5-(3-ethylmorpholin-4-yl)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(3-ethylmorpholin-4-yl)-5-oxopentanoic acid
PubChem CID43611838
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name5-(3-ethylmorpholin-4-yl)-5-oxopentanoic acid
SMILESCCC1COCCN1C(=O)CCCC(=O)O
InChIInChI=1S/C11H19NO4/c1-2-9-8-16-7-6-12(9)10(13)4-3-5-11(14)15/h9H,2-8H2,1H3,(H,14,15)
InChIKeySHPUVQLLQDVYOP-UHFFFAOYSA-N
XLogP0.88
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(3-ethylmorpholin-4-yl)-5-oxopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-1-(3-ethylmorpholin-4-yl)pentan-1-one
CID 107908453
5-(5-ethyl-2-methylmorpholin-4-yl)-5-oxopentanoic acid
CID 43578300
3-(3-ethylmorpholin-4-yl)-3-oxopropanethioamide
CID 43613382
3-ethylmorpholine-4-carbonyl chloride
CID 79887430
3-[4-(3-ethylmorpholine-4-carbonyl)piperazin-1-yl]propanoic acid
CID 61201831
6-(2-ethylpyrrolidin-1-yl)-6-oxohexanoic acid
CID 60973387
4-(3-ethylmorpholin-4-yl)sulfonylbutanoic acid
CID 43612984
6-(2-ethylpiperidin-1-yl)-6-oxohexanoic acid
CID 43447225
2-(3-ethylmorpholin-4-yl)-2-oxoacetohydrazide
CID 43613615
4-[(3R)-3-methylmorpholin-4-yl]-4-oxobutanoic acid
CID 93111439
tert-butyl (3S)-3-ethylmorpholine-4-carboxylate
CID 135215862
1-[(3S)-3-ethylmorpholin-4-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
CID 70756628

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylmorpholin-4-yl)-5-oxopentanoic acid?
The IUPAC name of 5-(3-ethylmorpholin-4-yl)-5-oxopentanoic acid (CID 43611838) is 5-(3-ethylmorpholin-4-yl)-5-oxopentanoic acid.
What is the SMILES notation for 5-(3-ethylmorpholin-4-yl)-5-oxopentanoic acid?
The canonical SMILES for 5-(3-ethylmorpholin-4-yl)-5-oxopentanoic acid is CCC1COCCN1C(=O)CCCC(=O)O.
What is the InChIKey of 5-(3-ethylmorpholin-4-yl)-5-oxopentanoic acid?
The InChIKey is SHPUVQLLQDVYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-2-9-8-16-7-6-12(9)10(13)4-3-5-11(14)15/h9H,2-8H2,1H3,(H,14,15).
What are the key properties of 5-(3-ethylmorpholin-4-yl)-5-oxopentanoic acid?
5-(3-ethylmorpholin-4-yl)-5-oxopentanoic acid has a molecular weight of 229.28 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylmorpholin-4-yl)-5-oxopentanoic acid is sourced from PubChem (CID 43611838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).