3-(2-methoxy-5-morpholin-4-ylphenyl)propanoic acid

C14H19NO4 — CID 117417021

IUPAC3-(2-methoxy-5-morpholin-4-ylphenyl)propanoic acid
SMILESCOc1ccc(N2CCOCC2)cc1CCC(=O)O
InChIInChI=1S/C14H19NO4/c1-18-13-4-3-12(15-6-8-19-9-7-15)10-11(13)2-5-14(16)17/h3-4,10H,2,5-9H2,1H3,(H,16,17)
InChIKeyINJAKUVPHXQDLD-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.55
Rot. Bonds5

About 3-(2-methoxy-5-morpholin-4-ylphenyl)propanoic acid

3-(2-methoxy-5-morpholin-4-ylphenyl)propanoic acid (PubChem CID 117417021) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-(2-methoxy-5-morpholin-4-ylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(2-methoxy-5-morpholin-4-ylphenyl)propanoic acid
PubChem CID117417021
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name3-(2-methoxy-5-morpholin-4-ylphenyl)propanoic acid
SMILESCOc1ccc(N2CCOCC2)cc1CCC(=O)O
InChIInChI=1S/C14H19NO4/c1-18-13-4-3-12(15-6-8-19-9-7-15)10-11(13)2-5-14(16)17/h3-4,10H,2,5-9H2,1H3,(H,16,17)
InChIKeyINJAKUVPHXQDLD-UHFFFAOYSA-N
XLogP1.55
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 3-(2-methoxy-5-morpholin-4-ylphenyl)propanoic 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

3-(2-hydroxy-5-morpholin-4-ylphenyl)propanoic acid
CID 117380858
3-(2-methyl-6-morpholin-4-yl-1H-indol-3-yl)propanoic acid
CID 139519298
N-(2-methoxy-5-morpholin-4-ylphenyl)pentanamide
CID 110359739
4-methoxy-6-morpholin-4-ylquinoline-2-carboxylic acid
CID 102942059
4-[3,5-dimethoxy-4-[(2-methoxy-4-morpholin-4-ylphenyl)methyl]phenyl]morpholine
CID 135200868
2-amino-1-(2-methoxy-5-morpholin-4-ylphenyl)ethanol
CID 117384184
N-(3,4-dimethoxyphenyl)-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide
CID 110612863
2-ethyl-N-(2-methoxy-5-morpholin-4-ylphenyl)butanamide
CID 110359745
3-(2-methoxy-5-pyrrolidin-1-ylphenyl)-2,2-dimethylpropanoic acid
CID 117444495
(E)-4-(2-methoxy-4-morpholin-4-ylphenyl)-2-oxobut-3-enoic acid
CID 126743116
3-(2-methoxy-5-propan-2-yloxyphenyl)propanoic acid
CID 82265548
N-[(2-methoxyphenyl)methyl]-4-morpholin-4-ylpyridin-1-ium-2-carboxamide
CID 9404711

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-5-morpholin-4-ylphenyl)propanoic acid?
The IUPAC name of 3-(2-methoxy-5-morpholin-4-ylphenyl)propanoic acid (CID 117417021) is 3-(2-methoxy-5-morpholin-4-ylphenyl)propanoic acid.
What is the SMILES notation for 3-(2-methoxy-5-morpholin-4-ylphenyl)propanoic acid?
The canonical SMILES for 3-(2-methoxy-5-morpholin-4-ylphenyl)propanoic acid is COc1ccc(N2CCOCC2)cc1CCC(=O)O.
What is the InChIKey of 3-(2-methoxy-5-morpholin-4-ylphenyl)propanoic acid?
The InChIKey is INJAKUVPHXQDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-18-13-4-3-12(15-6-8-19-9-7-15)10-11(13)2-5-14(16)17/h3-4,10H,2,5-9H2,1H3,(H,16,17).
What are the key properties of 3-(2-methoxy-5-morpholin-4-ylphenyl)propanoic acid?
3-(2-methoxy-5-morpholin-4-ylphenyl)propanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-5-morpholin-4-ylphenyl)propanoic acid is sourced from PubChem (CID 117417021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).