3-morpholin-4-yl-4-oxo-4-propan-2-yloxybutanoic acid

C11H19NO5 — CID 3351593

IUPAC3-morpholin-4-yl-4-oxo-4-propan-2-yloxybutanoic acid
SMILESCC(C)OC(=O)C(CC(=O)O)N1CCOCC1
InChIInChI=1S/C11H19NO5/c1-8(2)17-11(15)9(7-10(13)14)12-3-5-16-6-4-12/h8-9H,3-7H2,1-2H3,(H,13,14)
InChIKeyHMEJPYIDCIZZIG-UHFFFAOYSA-N
MW245.27 g/mol
LogP0.11
Rot. Bonds5

About 3-morpholin-4-yl-4-oxo-4-propan-2-yloxybutanoic acid

3-morpholin-4-yl-4-oxo-4-propan-2-yloxybutanoic acid (PubChem CID 3351593) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is 3-morpholin-4-yl-4-oxo-4-propan-2-yloxybutanoic acid.

Molecular Properties

Compound Name3-morpholin-4-yl-4-oxo-4-propan-2-yloxybutanoic acid
PubChem CID3351593
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name3-morpholin-4-yl-4-oxo-4-propan-2-yloxybutanoic acid
SMILESCC(C)OC(=O)C(CC(=O)O)N1CCOCC1
InChIInChI=1S/C11H19NO5/c1-8(2)17-11(15)9(7-10(13)14)12-3-5-16-6-4-12/h8-9H,3-7H2,1-2H3,(H,13,14)
InChIKeyHMEJPYIDCIZZIG-UHFFFAOYSA-N
XLogP0.11
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-4-oxo-4-propan-2-yloxybutanoic acid?
The IUPAC name of 3-morpholin-4-yl-4-oxo-4-propan-2-yloxybutanoic acid (CID 3351593) is 3-morpholin-4-yl-4-oxo-4-propan-2-yloxybutanoic acid.
What is the SMILES notation for 3-morpholin-4-yl-4-oxo-4-propan-2-yloxybutanoic acid?
The canonical SMILES for 3-morpholin-4-yl-4-oxo-4-propan-2-yloxybutanoic acid is CC(C)OC(=O)C(CC(=O)O)N1CCOCC1.
What is the InChIKey of 3-morpholin-4-yl-4-oxo-4-propan-2-yloxybutanoic acid?
The InChIKey is HMEJPYIDCIZZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5/c1-8(2)17-11(15)9(7-10(13)14)12-3-5-16-6-4-12/h8-9H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 3-morpholin-4-yl-4-oxo-4-propan-2-yloxybutanoic acid?
3-morpholin-4-yl-4-oxo-4-propan-2-yloxybutanoic acid has a molecular weight of 245.27 g/mol, XLogP of 0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-4-oxo-4-propan-2-yloxybutanoic acid is sourced from PubChem (CID 3351593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).