4-methyl-5-(morpholine-4-carbonyloxy)pentanoic acid

C11H19NO5 — CID 57206046

IUPAC4-methyl-5-(morpholine-4-carbonyloxy)pentanoic acid
SMILESCC(CCC(=O)O)COC(=O)N1CCOCC1
InChIInChI=1S/C11H19NO5/c1-9(2-3-10(13)14)8-17-11(15)12-4-6-16-7-5-12/h9H,2-8H2,1H3,(H,13,14)
InChIKeyCTLKOYYTHUHVSL-UHFFFAOYSA-N
MW245.27 g/mol
LogP0.96
Rot. Bonds5

About 4-methyl-5-(morpholine-4-carbonyloxy)pentanoic acid

4-methyl-5-(morpholine-4-carbonyloxy)pentanoic acid (PubChem CID 57206046) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is 4-methyl-5-(morpholine-4-carbonyloxy)pentanoic acid.

Molecular Properties

Compound Name4-methyl-5-(morpholine-4-carbonyloxy)pentanoic acid
PubChem CID57206046
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name4-methyl-5-(morpholine-4-carbonyloxy)pentanoic acid
SMILESCC(CCC(=O)O)COC(=O)N1CCOCC1
InChIInChI=1S/C11H19NO5/c1-9(2-3-10(13)14)8-17-11(15)12-4-6-16-7-5-12/h9H,2-8H2,1H3,(H,13,14)
InChIKeyCTLKOYYTHUHVSL-UHFFFAOYSA-N
XLogP0.96
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(morpholine-4-carbonyloxy)pentanoic acid?
The IUPAC name of 4-methyl-5-(morpholine-4-carbonyloxy)pentanoic acid (CID 57206046) is 4-methyl-5-(morpholine-4-carbonyloxy)pentanoic acid.
What is the SMILES notation for 4-methyl-5-(morpholine-4-carbonyloxy)pentanoic acid?
The canonical SMILES for 4-methyl-5-(morpholine-4-carbonyloxy)pentanoic acid is CC(CCC(=O)O)COC(=O)N1CCOCC1.
What is the InChIKey of 4-methyl-5-(morpholine-4-carbonyloxy)pentanoic acid?
The InChIKey is CTLKOYYTHUHVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5/c1-9(2-3-10(13)14)8-17-11(15)12-4-6-16-7-5-12/h9H,2-8H2,1H3,(H,13,14).
What are the key properties of 4-methyl-5-(morpholine-4-carbonyloxy)pentanoic acid?
4-methyl-5-(morpholine-4-carbonyloxy)pentanoic acid has a molecular weight of 245.27 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(morpholine-4-carbonyloxy)pentanoic acid is sourced from PubChem (CID 57206046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).