5-morpholin-4-yl-5-oxo-3-phenylpentanoic acid

C15H19NO4 — CID 2812803

IUPAC5-morpholin-4-yl-5-oxo-3-phenylpentanoic acid
SMILESO=C(O)CC(CC(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C15H19NO4/c17-14(16-6-8-20-9-7-16)10-13(11-15(18)19)12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,18,19)
InChIKeyCVCXBRIRCVFEKR-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.49
Rot. Bonds5

About 5-morpholin-4-yl-5-oxo-3-phenylpentanoic acid

5-morpholin-4-yl-5-oxo-3-phenylpentanoic acid (PubChem CID 2812803) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 5-morpholin-4-yl-5-oxo-3-phenylpentanoic acid.

Molecular Properties

Compound Name5-morpholin-4-yl-5-oxo-3-phenylpentanoic acid
PubChem CID2812803
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name5-morpholin-4-yl-5-oxo-3-phenylpentanoic acid
SMILESO=C(O)CC(CC(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C15H19NO4/c17-14(16-6-8-20-9-7-16)10-13(11-15(18)19)12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,18,19)
InChIKeyCVCXBRIRCVFEKR-UHFFFAOYSA-N
XLogP1.49
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-yl-5-oxo-3-phenylpentanoic acid?
The IUPAC name of 5-morpholin-4-yl-5-oxo-3-phenylpentanoic acid (CID 2812803) is 5-morpholin-4-yl-5-oxo-3-phenylpentanoic acid.
What is the SMILES notation for 5-morpholin-4-yl-5-oxo-3-phenylpentanoic acid?
The canonical SMILES for 5-morpholin-4-yl-5-oxo-3-phenylpentanoic acid is O=C(O)CC(CC(=O)N1CCOCC1)c1ccccc1.
What is the InChIKey of 5-morpholin-4-yl-5-oxo-3-phenylpentanoic acid?
The InChIKey is CVCXBRIRCVFEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c17-14(16-6-8-20-9-7-16)10-13(11-15(18)19)12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,18,19).
What are the key properties of 5-morpholin-4-yl-5-oxo-3-phenylpentanoic acid?
5-morpholin-4-yl-5-oxo-3-phenylpentanoic acid has a molecular weight of 277.32 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-yl-5-oxo-3-phenylpentanoic acid is sourced from PubChem (CID 2812803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).