4-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]butanoic acid

C15H23NO3 — CID 115218709

IUPAC4-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]butanoic acid
SMILESCOc1cc(C)c(C)cc1CCNCCCC(=O)O
InChIInChI=1S/C15H23NO3/c1-11-9-13(14(19-3)10-12(11)2)6-8-16-7-4-5-15(17)18/h9-10,16H,4-8H2,1-3H3,(H,17,18)
InChIKeyQZDKPOGLKQVGRA-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.31
Rot. Bonds8

About 4-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]butanoic acid

4-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]butanoic acid (PubChem CID 115218709) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 4-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]butanoic acid.

Molecular Properties

Compound Name4-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]butanoic acid
PubChem CID115218709
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name4-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]butanoic acid
SMILESCOc1cc(C)c(C)cc1CCNCCCC(=O)O
InChIInChI=1S/C15H23NO3/c1-11-9-13(14(19-3)10-12(11)2)6-8-16-7-4-5-15(17)18/h9-10,16H,4-8H2,1-3H3,(H,17,18)
InChIKeyQZDKPOGLKQVGRA-UHFFFAOYSA-N
XLogP2.31
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]butanoic acid
CID 115218737
2-(2-methoxy-4,5-dimethylphenyl)ethylcarbamic acid
CID 115171106
5-(4-methoxy-2,5-dimethylphenyl)pentanoic acid
CID 93185741
4-[2-(2,3,4-trimethylphenyl)ethylamino]butanoic acid
CID 115218755
methyl 4-(2-methoxy-4,5-dimethylphenyl)butanoate
CID 82350341
2-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]acetaldehyde
CID 115223198
3-[2-(5-chloro-2-methoxy-4-methylphenyl)ethylamino]propan-1-ol
CID 115217036
4-[2-(4,5-dimethoxy-2-methylphenyl)ethylamino]butan-2-one
CID 115235940
3-[(4-methoxy-2,5-dimethylphenyl)methylamino]propanoic acid
CID 98784083
4-[(2-methoxy-5-methylphenyl)methylamino]butanoic acid
CID 43473831
4-[(4,5-dimethoxy-2-methylbenzoyl)amino]butanoic acid
CID 98023407
5-[2-(2,5-dimethoxyphenyl)ethylamino]pentan-2-one
CID 115236656

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]butanoic acid?
The IUPAC name of 4-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]butanoic acid (CID 115218709) is 4-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]butanoic acid.
What is the SMILES notation for 4-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]butanoic acid?
The canonical SMILES for 4-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]butanoic acid is COc1cc(C)c(C)cc1CCNCCCC(=O)O.
What is the InChIKey of 4-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]butanoic acid?
The InChIKey is QZDKPOGLKQVGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11-9-13(14(19-3)10-12(11)2)6-8-16-7-4-5-15(17)18/h9-10,16H,4-8H2,1-3H3,(H,17,18).
What are the key properties of 4-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]butanoic acid?
4-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]butanoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]butanoic acid is sourced from PubChem (CID 115218709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).