4-morpholin-4-yl-4-oxo-2-phenylbutanoic acid

C14H17NO4 — CID 82133442

IUPAC4-morpholin-4-yl-4-oxo-2-phenylbutanoic acid
SMILESO=C(O)C(CC(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C14H17NO4/c16-13(15-6-8-19-9-7-15)10-12(14(17)18)11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,17,18)
InChIKeyOIHDLXASIFDIAU-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.10
Rot. Bonds4

About 4-morpholin-4-yl-4-oxo-2-phenylbutanoic acid

4-morpholin-4-yl-4-oxo-2-phenylbutanoic acid (PubChem CID 82133442) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 4-morpholin-4-yl-4-oxo-2-phenylbutanoic acid.

Molecular Properties

Compound Name4-morpholin-4-yl-4-oxo-2-phenylbutanoic acid
PubChem CID82133442
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name4-morpholin-4-yl-4-oxo-2-phenylbutanoic acid
SMILESO=C(O)C(CC(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C14H17NO4/c16-13(15-6-8-19-9-7-15)10-12(14(17)18)11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,17,18)
InChIKeyOIHDLXASIFDIAU-UHFFFAOYSA-N
XLogP1.10
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-morpholin-4-yl-4-oxo-2-phenylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chlorophenyl)-4-morpholin-4-yl-1-phenylbutane-1,4-dione
CID 11405651
(3R)-3-(4-chlorophenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 26317426
(3R)-3-(furan-2-yl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 948351
3-anilino-1-morpholin-4-yl-3-phenylpropan-1-one
CID 13116197
(2S)-1-morpholin-4-yl-2-phenylbutan-1-one
CID 670056
2-benzhydrylsulfanyl-1-morpholin-4-ylethanone
CID 4089685
(3S)-3-(5-bromo-2-hydroxyphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 1331148
(3S)-3-(2-hydroxy-5-methylphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 40595933
(3S)-3-(2-hydroxy-4-methylphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 740584
N-(2-morpholin-4-yl-2-oxoethyl)-2,2-diphenylacetamide
CID 110712346
3-(1,3-benzodioxol-5-yl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 45197792
(2S)-N-[(2S)-1-(4-methylanilino)propan-2-yl]-4-morpholin-4-yl-4-oxo-2-phenylbutanamide
CID 59639297

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-4-oxo-2-phenylbutanoic acid?
The IUPAC name of 4-morpholin-4-yl-4-oxo-2-phenylbutanoic acid (CID 82133442) is 4-morpholin-4-yl-4-oxo-2-phenylbutanoic acid.
What is the SMILES notation for 4-morpholin-4-yl-4-oxo-2-phenylbutanoic acid?
The canonical SMILES for 4-morpholin-4-yl-4-oxo-2-phenylbutanoic acid is O=C(O)C(CC(=O)N1CCOCC1)c1ccccc1.
What is the InChIKey of 4-morpholin-4-yl-4-oxo-2-phenylbutanoic acid?
The InChIKey is OIHDLXASIFDIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c16-13(15-6-8-19-9-7-15)10-12(14(17)18)11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,17,18).
What are the key properties of 4-morpholin-4-yl-4-oxo-2-phenylbutanoic acid?
4-morpholin-4-yl-4-oxo-2-phenylbutanoic acid has a molecular weight of 263.29 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-4-oxo-2-phenylbutanoic acid is sourced from PubChem (CID 82133442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).