3-morpholin-4-yl-4-oxo-4-(oxolan-2-ylmethoxy)butanoic acid

C13H21NO6 — CID 661853

IUPAC3-morpholin-4-yl-4-oxo-4-(oxolan-2-ylmethoxy)butanoic acid
SMILESO=C(O)CC(C(=O)OCC1CCCO1)N1CCOCC1
InChIInChI=1S/C13H21NO6/c15-12(16)8-11(14-3-6-18-7-4-14)13(17)20-9-10-2-1-5-19-10/h10-11H,1-9H2,(H,15,16)
InChIKeyLDZSYQOAPFHKLC-UHFFFAOYSA-N
MW287.31 g/mol
LogP-0.12
Rot. Bonds6

About 3-morpholin-4-yl-4-oxo-4-(oxolan-2-ylmethoxy)butanoic acid

3-morpholin-4-yl-4-oxo-4-(oxolan-2-ylmethoxy)butanoic acid (PubChem CID 661853) has the molecular formula C13H21NO6 and a molecular weight of 287.31 g/mol. Its IUPAC name is 3-morpholin-4-yl-4-oxo-4-(oxolan-2-ylmethoxy)butanoic acid.

Molecular Properties

Compound Name3-morpholin-4-yl-4-oxo-4-(oxolan-2-ylmethoxy)butanoic acid
PubChem CID661853
Molecular FormulaC13H21NO6
Molecular Weight287.31 g/mol
Exact Mass287.14
IUPAC Name3-morpholin-4-yl-4-oxo-4-(oxolan-2-ylmethoxy)butanoic acid
SMILESO=C(O)CC(C(=O)OCC1CCCO1)N1CCOCC1
InChIInChI=1S/C13H21NO6/c15-12(16)8-11(14-3-6-18-7-4-14)13(17)20-9-10-2-1-5-19-10/h10-11H,1-9H2,(H,15,16)
InChIKeyLDZSYQOAPFHKLC-UHFFFAOYSA-N
XLogP-0.12
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-4-oxo-4-(oxolan-2-ylmethoxy)butanoic acid?
The IUPAC name of 3-morpholin-4-yl-4-oxo-4-(oxolan-2-ylmethoxy)butanoic acid (CID 661853) is 3-morpholin-4-yl-4-oxo-4-(oxolan-2-ylmethoxy)butanoic acid.
What is the SMILES notation for 3-morpholin-4-yl-4-oxo-4-(oxolan-2-ylmethoxy)butanoic acid?
The canonical SMILES for 3-morpholin-4-yl-4-oxo-4-(oxolan-2-ylmethoxy)butanoic acid is O=C(O)CC(C(=O)OCC1CCCO1)N1CCOCC1.
What is the InChIKey of 3-morpholin-4-yl-4-oxo-4-(oxolan-2-ylmethoxy)butanoic acid?
The InChIKey is LDZSYQOAPFHKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO6/c15-12(16)8-11(14-3-6-18-7-4-14)13(17)20-9-10-2-1-5-19-10/h10-11H,1-9H2,(H,15,16).
What are the key properties of 3-morpholin-4-yl-4-oxo-4-(oxolan-2-ylmethoxy)butanoic acid?
3-morpholin-4-yl-4-oxo-4-(oxolan-2-ylmethoxy)butanoic acid has a molecular weight of 287.31 g/mol, XLogP of -0.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-4-oxo-4-(oxolan-2-ylmethoxy)butanoic acid is sourced from PubChem (CID 661853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).