4-(4-oxo-4-phenylbutanoyl)morpholine-2-carboxylic acid

C15H17NO5 — CID 119239623

IUPAC4-(4-oxo-4-phenylbutanoyl)morpholine-2-carboxylic acid
SMILESO=C(CCC(=O)N1CCOC(C(=O)O)C1)c1ccccc1
InChIInChI=1S/C15H17NO5/c17-12(11-4-2-1-3-5-11)6-7-14(18)16-8-9-21-13(10-16)15(19)20/h1-5,13H,6-10H2,(H,19,20)
InChIKeyZOLCHDYEFJYMDB-UHFFFAOYSA-N
MW291.30 g/mol
LogP0.96
Rot. Bonds5

About 4-(4-oxo-4-phenylbutanoyl)morpholine-2-carboxylic acid

4-(4-oxo-4-phenylbutanoyl)morpholine-2-carboxylic acid (PubChem CID 119239623) has the molecular formula C15H17NO5 and a molecular weight of 291.30 g/mol. Its IUPAC name is 4-(4-oxo-4-phenylbutanoyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(4-oxo-4-phenylbutanoyl)morpholine-2-carboxylic acid
PubChem CID119239623
Molecular FormulaC15H17NO5
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name4-(4-oxo-4-phenylbutanoyl)morpholine-2-carboxylic acid
SMILESO=C(CCC(=O)N1CCOC(C(=O)O)C1)c1ccccc1
InChIInChI=1S/C15H17NO5/c17-12(11-4-2-1-3-5-11)6-7-14(18)16-8-9-21-13(10-16)15(19)20/h1-5,13H,6-10H2,(H,19,20)
InChIKeyZOLCHDYEFJYMDB-UHFFFAOYSA-N
XLogP0.96
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(2-aminophenyl)propanoyl]morpholine-2-carboxylic acid
CID 107273042
(2R)-4-(3-indol-1-ylpropanoyl)morpholine-2-carboxylic acid
CID 124703983
(2R)-4-[3-(5-phenylfuran-2-yl)propanoyl]morpholine-2-carboxylic acid
CID 124703973
(2R)-4-[(3R)-3-phenylbutanoyl]morpholine-2-carboxylic acid
CID 124692903
(2S)-4-[4-(2-fluorophenoxy)butanoyl]morpholine-2-carboxylic acid
CID 125120396
4-[3-(1-benzofuran-2-yl)propanoyl]morpholine-2-carboxylic acid
CID 119239465
4-(3-benzamido-3-phenylpropanoyl)morpholine-2-carboxylic acid
CID 119239627
(2R)-4-[2-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetyl]morpholine-2-carboxylic acid
CID 125153787
1-(2-methylmorpholin-4-yl)-4-(4-methylphenyl)butane-1,4-dione
CID 110309987
(2R)-4-[2-(2,6-difluorophenyl)acetyl]morpholine-2-carboxylic acid
CID 124517322
4-(4,4,4-trifluoro-3-phenylbutanoyl)morpholine-2-carboxylic acid
CID 119238821
4-[4-(4-methylphenyl)butanoyl]morpholine-2-carboxylic acid
CID 119238769

Frequently Asked Questions

What is the IUPAC name of 4-(4-oxo-4-phenylbutanoyl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(4-oxo-4-phenylbutanoyl)morpholine-2-carboxylic acid (CID 119239623) is 4-(4-oxo-4-phenylbutanoyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(4-oxo-4-phenylbutanoyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(4-oxo-4-phenylbutanoyl)morpholine-2-carboxylic acid is O=C(CCC(=O)N1CCOC(C(=O)O)C1)c1ccccc1.
What is the InChIKey of 4-(4-oxo-4-phenylbutanoyl)morpholine-2-carboxylic acid?
The InChIKey is ZOLCHDYEFJYMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5/c17-12(11-4-2-1-3-5-11)6-7-14(18)16-8-9-21-13(10-16)15(19)20/h1-5,13H,6-10H2,(H,19,20).
What are the key properties of 4-(4-oxo-4-phenylbutanoyl)morpholine-2-carboxylic acid?
4-(4-oxo-4-phenylbutanoyl)morpholine-2-carboxylic acid has a molecular weight of 291.30 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-(4-oxo-4-phenylbutanoyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 119239623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).