5-(2-ethylmorpholin-4-yl)-5-oxopentanoic acid

C11H19NO4 — CID 43562555

IUPAC5-(2-ethylmorpholin-4-yl)-5-oxopentanoic acid
SMILESCCC1CN(C(=O)CCCC(=O)O)CCO1
InChIInChI=1S/C11H19NO4/c1-2-9-8-12(6-7-16-9)10(13)4-3-5-11(14)15/h9H,2-8H2,1H3,(H,14,15)
InChIKeyRSSIBFDQJWFJRK-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.88
Rot. Bonds5

About 5-(2-ethylmorpholin-4-yl)-5-oxopentanoic acid

5-(2-ethylmorpholin-4-yl)-5-oxopentanoic acid (PubChem CID 43562555) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 5-(2-ethylmorpholin-4-yl)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(2-ethylmorpholin-4-yl)-5-oxopentanoic acid
PubChem CID43562555
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name5-(2-ethylmorpholin-4-yl)-5-oxopentanoic acid
SMILESCCC1CN(C(=O)CCCC(=O)O)CCO1
InChIInChI=1S/C11H19NO4/c1-2-9-8-12(6-7-16-9)10(13)4-3-5-11(14)15/h9H,2-8H2,1H3,(H,14,15)
InChIKeyRSSIBFDQJWFJRK-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

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Related Compounds

5-oxo-5-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)pentanoic Acid
CID 3443349
5-(2,6-Dimethylmorpholin-4-yl)-3-methyl-5-oxopentanoic acid
CID 6466741
3,3-dimethyl-5-oxo-5-[(6S)-2,2,6-trimethylmorpholin-4-yl]pentanoic acid
CID 124465189
5-[4-(Ethoxycarbonyl)piperazin-1-yl]-5-oxopentanoic acid
CID 7357795
Ethyl 5-morpholin-4-yl-5-oxopentanoate
CID 12417235
Propyl 3-hydroxy-5-morpholin-4-yl-5-oxopentanoate
CID 135070103
3-[4-(2,2,2-Trifluoroacetyl)morpholin-2-yl]propanoic acid
CID 165919774
3-Methyl-5-(4-morpholinyl)-5-oxopentanoic acid
CID 24214099
5-[4-(2-Hydroxyethyl)piperazin-1-yl]-5-oxopentanoic acid
CID 2051427
Ethyl 1-(2-hydroxypropyl)-6-oxopiperidine-3-carboxylate
CID 14454409
5-Morpholin-4-YL-5-oxopentanoic acid
CID 15779948
5-(2-Methylmorpholin-4-yl)-5-oxopentanoic acid
CID 16775484

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylmorpholin-4-yl)-5-oxopentanoic acid?
The IUPAC name of 5-(2-ethylmorpholin-4-yl)-5-oxopentanoic acid (CID 43562555) is 5-(2-ethylmorpholin-4-yl)-5-oxopentanoic acid.
What is the SMILES notation for 5-(2-ethylmorpholin-4-yl)-5-oxopentanoic acid?
The canonical SMILES for 5-(2-ethylmorpholin-4-yl)-5-oxopentanoic acid is CCC1CN(C(=O)CCCC(=O)O)CCO1.
What is the InChIKey of 5-(2-ethylmorpholin-4-yl)-5-oxopentanoic acid?
The InChIKey is RSSIBFDQJWFJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-2-9-8-12(6-7-16-9)10(13)4-3-5-11(14)15/h9H,2-8H2,1H3,(H,14,15).
What are the key properties of 5-(2-ethylmorpholin-4-yl)-5-oxopentanoic acid?
5-(2-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-(2-ethylmorpholin-4-yl)-5-oxopentanoic acid is sourced from PubChem (CID 43562555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).