4-(4-methyl-2-morpholin-4-ylphenyl)butanoic acid

C15H21NO3 — CID 117108460

IUPAC4-(4-methyl-2-morpholin-4-ylphenyl)butanoic acid
SMILESCc1ccc(CCCC(=O)O)c(N2CCOCC2)c1
InChIInChI=1S/C15H21NO3/c1-12-5-6-13(3-2-4-15(17)18)14(11-12)16-7-9-19-10-8-16/h5-6,11H,2-4,7-10H2,1H3,(H,17,18)
InChIKeyXLRHVWZXJYDBKG-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.24
Rot. Bonds5

About 4-(4-methyl-2-morpholin-4-ylphenyl)butanoic acid

4-(4-methyl-2-morpholin-4-ylphenyl)butanoic acid (PubChem CID 117108460) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-(4-methyl-2-morpholin-4-ylphenyl)butanoic acid.

Molecular Properties

Compound Name4-(4-methyl-2-morpholin-4-ylphenyl)butanoic acid
PubChem CID117108460
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name4-(4-methyl-2-morpholin-4-ylphenyl)butanoic acid
SMILESCc1ccc(CCCC(=O)O)c(N2CCOCC2)c1
InChIInChI=1S/C15H21NO3/c1-12-5-6-13(3-2-4-15(17)18)14(11-12)16-7-9-19-10-8-16/h5-6,11H,2-4,7-10H2,1H3,(H,17,18)
InChIKeyXLRHVWZXJYDBKG-UHFFFAOYSA-N
XLogP2.24
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-methyl-2-morpholin-4-ylphenyl)butanoic 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

4-(4-methyl-2-morpholin-4-ylphenyl)butan-1-amine
CID 117115698
(4-methyl-2-morpholin-4-ylphenyl)methanamine
CID 62308441
N-[(4-methyl-2-morpholin-4-ylphenyl)methyl]hydroxylamine
CID 117111098
4-amino-4-(4-methyl-2-morpholin-4-ylphenyl)butanoic acid
CID 117116014
4-methyl-2-(1,4-oxazepan-4-yl)benzoic acid
CID 62968020
5-methyl-2-morpholin-4-ylbenzoic acid
CID 62516703
3-amino-3-(4-methyl-2-morpholin-4-ylphenyl)propanoic acid
CID 117115891
4-[1-(4-methylphenyl)-5-morpholin-4-ylimidazol-2-yl]butanoic acid
CID 174650434
2-amino-1-(4-methyl-2-morpholin-4-ylphenyl)ethanone
CID 117115575
3-(5-chloro-2-morpholin-4-ylphenyl)propanoic acid
CID 117427366
1-(5-methyl-2-morpholin-4-ylphenyl)ethanone
CID 117312505
4-(2-fluoro-5-methylphenyl)butanoic acid
CID 83698985

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-2-morpholin-4-ylphenyl)butanoic acid?
The IUPAC name of 4-(4-methyl-2-morpholin-4-ylphenyl)butanoic acid (CID 117108460) is 4-(4-methyl-2-morpholin-4-ylphenyl)butanoic acid.
What is the SMILES notation for 4-(4-methyl-2-morpholin-4-ylphenyl)butanoic acid?
The canonical SMILES for 4-(4-methyl-2-morpholin-4-ylphenyl)butanoic acid is Cc1ccc(CCCC(=O)O)c(N2CCOCC2)c1.
What is the InChIKey of 4-(4-methyl-2-morpholin-4-ylphenyl)butanoic acid?
The InChIKey is XLRHVWZXJYDBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-12-5-6-13(3-2-4-15(17)18)14(11-12)16-7-9-19-10-8-16/h5-6,11H,2-4,7-10H2,1H3,(H,17,18).
What are the key properties of 4-(4-methyl-2-morpholin-4-ylphenyl)butanoic acid?
4-(4-methyl-2-morpholin-4-ylphenyl)butanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-2-morpholin-4-ylphenyl)butanoic acid is sourced from PubChem (CID 117108460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).