4-[4-(4-methylphenyl)butanoyl]morpholine-2-carboxylic acid

C16H21NO4 — CID 119238769

IUPAC4-[4-(4-methylphenyl)butanoyl]morpholine-2-carboxylic acid
SMILESCc1ccc(CCCC(=O)N2CCOC(C(=O)O)C2)cc1
InChIInChI=1S/C16H21NO4/c1-12-5-7-13(8-6-12)3-2-4-15(18)17-9-10-21-14(11-17)16(19)20/h5-8,14H,2-4,9-11H2,1H3,(H,19,20)
InChIKeyGPJSRHMZDSOEFQ-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.63
Rot. Bonds5

About 4-[4-(4-methylphenyl)butanoyl]morpholine-2-carboxylic acid

4-[4-(4-methylphenyl)butanoyl]morpholine-2-carboxylic acid (PubChem CID 119238769) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-[4-(4-methylphenyl)butanoyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[4-(4-methylphenyl)butanoyl]morpholine-2-carboxylic acid
PubChem CID119238769
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name4-[4-(4-methylphenyl)butanoyl]morpholine-2-carboxylic acid
SMILESCc1ccc(CCCC(=O)N2CCOC(C(=O)O)C2)cc1
InChIInChI=1S/C16H21NO4/c1-12-5-7-13(8-6-12)3-2-4-15(18)17-9-10-21-14(11-17)16(19)20/h5-8,14H,2-4,9-11H2,1H3,(H,19,20)
InChIKeyGPJSRHMZDSOEFQ-UHFFFAOYSA-N
XLogP1.63
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-[5-(4-bromophenyl)pentanoyl]morpholine-2-carboxylic acid
CID 124700538
(2S)-4-[3-(2,4-dimethylphenyl)propanoyl]morpholine-2-carboxylic acid
CID 124696038
5-methyl-1-[4-(4-methylphenyl)butanoyl]piperidine-3-carboxylic acid
CID 122118846
(3S)-1-[5-(4-methylphenyl)pentanoyl]pyrrolidine-3-carboxylic acid
CID 124696647
(2R)-4-[3-[4-(trifluoromethyl)phenyl]propanoyl]morpholine-2-carboxylic acid
CID 124700706
(2R)-4-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]morpholine-2-carboxylic acid
CID 124697278
(2R)-4-[3-(5-methylfuran-2-yl)propanoyl]morpholine-2-carboxylic acid
CID 124696036
4-(4-methylsulfanylbutanoyl)morpholine-2-carboxylic acid
CID 119357821
4-[2-(2,5-dimethylphenyl)acetyl]morpholine-2-carboxylic acid
CID 62539492
4-[3-(2,4-dimethylphenoxy)propanoyl]morpholine-2-carboxylic acid
CID 119239122
(2S)-4-(3-thiophen-3-ylpropanoyl)morpholine-2-carboxylic acid
CID 124700575
(3R)-4-[4-(4-methylphenyl)butanoyl]morpholine-3-carboxylic acid
CID 125152832

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methylphenyl)butanoyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[4-(4-methylphenyl)butanoyl]morpholine-2-carboxylic acid (CID 119238769) is 4-[4-(4-methylphenyl)butanoyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[4-(4-methylphenyl)butanoyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[4-(4-methylphenyl)butanoyl]morpholine-2-carboxylic acid is Cc1ccc(CCCC(=O)N2CCOC(C(=O)O)C2)cc1.
What is the InChIKey of 4-[4-(4-methylphenyl)butanoyl]morpholine-2-carboxylic acid?
The InChIKey is GPJSRHMZDSOEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-12-5-7-13(8-6-12)3-2-4-15(18)17-9-10-21-14(11-17)16(19)20/h5-8,14H,2-4,9-11H2,1H3,(H,19,20).
What are the key properties of 4-[4-(4-methylphenyl)butanoyl]morpholine-2-carboxylic acid?
4-[4-(4-methylphenyl)butanoyl]morpholine-2-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methylphenyl)butanoyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 119238769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).