5-(5-ethyl-2-methylmorpholin-4-yl)-5-oxopentanoic acid

C12H21NO4 — CID 43578300

IUPAC5-(5-ethyl-2-methylmorpholin-4-yl)-5-oxopentanoic acid
SMILESCCC1COC(C)CN1C(=O)CCCC(=O)O
InChIInChI=1S/C12H21NO4/c1-3-10-8-17-9(2)7-13(10)11(14)5-4-6-12(15)16/h9-10H,3-8H2,1-2H3,(H,15,16)
InChIKeyPRJDFFBMJQXCQA-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.27
Rot. Bonds5

About 5-(5-ethyl-2-methylmorpholin-4-yl)-5-oxopentanoic acid

5-(5-ethyl-2-methylmorpholin-4-yl)-5-oxopentanoic acid (PubChem CID 43578300) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 5-(5-ethyl-2-methylmorpholin-4-yl)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(5-ethyl-2-methylmorpholin-4-yl)-5-oxopentanoic acid
PubChem CID43578300
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name5-(5-ethyl-2-methylmorpholin-4-yl)-5-oxopentanoic acid
SMILESCCC1COC(C)CN1C(=O)CCCC(=O)O
InChIInChI=1S/C12H21NO4/c1-3-10-8-17-9(2)7-13(10)11(14)5-4-6-12(15)16/h9-10H,3-8H2,1-2H3,(H,15,16)
InChIKeyPRJDFFBMJQXCQA-UHFFFAOYSA-N
XLogP1.27
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-ethyl-2-methylmorpholin-4-yl)-5-oxopentanoic acid?
The IUPAC name of 5-(5-ethyl-2-methylmorpholin-4-yl)-5-oxopentanoic acid (CID 43578300) is 5-(5-ethyl-2-methylmorpholin-4-yl)-5-oxopentanoic acid.
What is the SMILES notation for 5-(5-ethyl-2-methylmorpholin-4-yl)-5-oxopentanoic acid?
The canonical SMILES for 5-(5-ethyl-2-methylmorpholin-4-yl)-5-oxopentanoic acid is CCC1COC(C)CN1C(=O)CCCC(=O)O.
What is the InChIKey of 5-(5-ethyl-2-methylmorpholin-4-yl)-5-oxopentanoic acid?
The InChIKey is PRJDFFBMJQXCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-3-10-8-17-9(2)7-13(10)11(14)5-4-6-12(15)16/h9-10H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 5-(5-ethyl-2-methylmorpholin-4-yl)-5-oxopentanoic acid?
5-(5-ethyl-2-methylmorpholin-4-yl)-5-oxopentanoic acid has a molecular weight of 243.30 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethyl-2-methylmorpholin-4-yl)-5-oxopentanoic acid is sourced from PubChem (CID 43578300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).