4-[2-(4-phenylphenoxy)propanoyl]morpholine-3-carboxylic acid

C20H21NO5 — CID 119216684

IUPAC4-[2-(4-phenylphenoxy)propanoyl]morpholine-3-carboxylic acid
SMILESCC(Oc1ccc(-c2ccccc2)cc1)C(=O)N1CCOCC1C(=O)O
InChIInChI=1S/C20H21NO5/c1-14(19(22)21-11-12-25-13-18(21)20(23)24)26-17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10,14,18H,11-13H2,1H3,(H,23,24)
InChIKeyKUZNOSXTAIAWLH-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.43
Rot. Bonds5

About 4-[2-(4-phenylphenoxy)propanoyl]morpholine-3-carboxylic acid

4-[2-(4-phenylphenoxy)propanoyl]morpholine-3-carboxylic acid (PubChem CID 119216684) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is 4-[2-(4-phenylphenoxy)propanoyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-(4-phenylphenoxy)propanoyl]morpholine-3-carboxylic acid
PubChem CID119216684
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Name4-[2-(4-phenylphenoxy)propanoyl]morpholine-3-carboxylic acid
SMILESCC(Oc1ccc(-c2ccccc2)cc1)C(=O)N1CCOCC1C(=O)O
InChIInChI=1S/C20H21NO5/c1-14(19(22)21-11-12-25-13-18(21)20(23)24)26-17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10,14,18H,11-13H2,1H3,(H,23,24)
InChIKeyKUZNOSXTAIAWLH-UHFFFAOYSA-N
XLogP2.43
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-4-[(2S)-2-(3-fluorophenoxy)propanoyl]morpholine-3-carboxylic acid
CID 124513571
(2S)-1-morpholin-4-yl-2-(4-phenylphenoxy)propan-1-one
CID 734825
(3S)-4-[(2R)-2-[[4-(2-methylphenyl)-1-oxo-2H-isoquinolin-7-yl]oxy]propanoyl]morpholine-3-carboxylic acid
CID 167498218
(3R)-4-[(2R)-2-methyl-4-phenoxybutanoyl]morpholine-3-carboxylic acid
CID 125133585
1-morpholin-4-yl-2-[4-[2-(4-phenylphenoxy)propanoyl]piperazin-1-yl]ethane-1,2-dione
CID 55607691
(3S)-4-[(2R)-2-(4-methoxyphenyl)propanoyl]morpholine-3-carboxylic acid
CID 125119447
(3S)-4-[(2S)-2-methoxy-2-phenylacetyl]morpholine-3-carboxylic acid
CID 124513285
4-[4-(2-fluorophenyl)-2-methylbutanoyl]morpholine-3-carboxylic acid
CID 119216750
(3R)-4-[(2R)-2-[(3-methoxyphenyl)methoxy]propanoyl]morpholine-3-carboxylic acid
CID 125133126
1-[2-(4-methylphenoxy)propanoyl]piperidine-2-carboxylic acid
CID 43239889
2-(4-phenylphenoxy)-1-[4-[2-(4-phenylphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 4981282
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(4-phenylphenoxy)propan-1-one
CID 119634509

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-phenylphenoxy)propanoyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[2-(4-phenylphenoxy)propanoyl]morpholine-3-carboxylic acid (CID 119216684) is 4-[2-(4-phenylphenoxy)propanoyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[2-(4-phenylphenoxy)propanoyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[2-(4-phenylphenoxy)propanoyl]morpholine-3-carboxylic acid is CC(Oc1ccc(-c2ccccc2)cc1)C(=O)N1CCOCC1C(=O)O.
What is the InChIKey of 4-[2-(4-phenylphenoxy)propanoyl]morpholine-3-carboxylic acid?
The InChIKey is KUZNOSXTAIAWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c1-14(19(22)21-11-12-25-13-18(21)20(23)24)26-17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10,14,18H,11-13H2,1H3,(H,23,24).
What are the key properties of 4-[2-(4-phenylphenoxy)propanoyl]morpholine-3-carboxylic acid?
4-[2-(4-phenylphenoxy)propanoyl]morpholine-3-carboxylic acid has a molecular weight of 355.39 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-phenylphenoxy)propanoyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 119216684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).