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

C10H17NO4 — CID 16775484

IUPAC5-(2-methylmorpholin-4-yl)-5-oxopentanoic acid
SMILESCC1CN(C(=O)CCCC(=O)O)CCO1
InChIInChI=1S/C10H17NO4/c1-8-7-11(5-6-15-8)9(12)3-2-4-10(13)14/h8H,2-7H2,1H3,(H,13,14)
InChIKeyHJDLQNWFAFTPLB-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.49
Rot. Bonds4

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

5-(2-methylmorpholin-4-yl)-5-oxopentanoic acid (PubChem CID 16775484) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 5-(2-methylmorpholin-4-yl)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(2-methylmorpholin-4-yl)-5-oxopentanoic acid
PubChem CID16775484
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name5-(2-methylmorpholin-4-yl)-5-oxopentanoic acid
SMILESCC1CN(C(=O)CCCC(=O)O)CCO1
InChIInChI=1S/C10H17NO4/c1-8-7-11(5-6-15-8)9(12)3-2-4-10(13)14/h8H,2-7H2,1H3,(H,13,14)
InChIKeyHJDLQNWFAFTPLB-UHFFFAOYSA-N
XLogP0.49
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylmorpholin-4-yl)-5-oxopentanoic acid?
The IUPAC name of 5-(2-methylmorpholin-4-yl)-5-oxopentanoic acid (CID 16775484) is 5-(2-methylmorpholin-4-yl)-5-oxopentanoic acid.
What is the SMILES notation for 5-(2-methylmorpholin-4-yl)-5-oxopentanoic acid?
The canonical SMILES for 5-(2-methylmorpholin-4-yl)-5-oxopentanoic acid is CC1CN(C(=O)CCCC(=O)O)CCO1.
What is the InChIKey of 5-(2-methylmorpholin-4-yl)-5-oxopentanoic acid?
The InChIKey is HJDLQNWFAFTPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-8-7-11(5-6-15-8)9(12)3-2-4-10(13)14/h8H,2-7H2,1H3,(H,13,14).
What are the key properties of 5-(2-methylmorpholin-4-yl)-5-oxopentanoic acid?
5-(2-methylmorpholin-4-yl)-5-oxopentanoic acid has a molecular weight of 215.25 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylmorpholin-4-yl)-5-oxopentanoic acid is sourced from PubChem (CID 16775484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).