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

C15H23NO3 — CID 82351161

IUPAC3-(ethylamino)-4-(4-methoxy-2,5-dimethylphenyl)butanoic acid
SMILESCCNC(CC(=O)O)Cc1cc(C)c(OC)cc1C
InChIInChI=1S/C15H23NO3/c1-5-16-13(9-15(17)18)8-12-6-11(3)14(19-4)7-10(12)2/h6-7,13,16H,5,8-9H2,1-4H3,(H,17,18)
InChIKeyYRFFMWWDODPUOF-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.31
Rot. Bonds7

About 3-(ethylamino)-4-(4-methoxy-2,5-dimethylphenyl)butanoic acid

3-(ethylamino)-4-(4-methoxy-2,5-dimethylphenyl)butanoic acid (PubChem CID 82351161) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-(ethylamino)-4-(4-methoxy-2,5-dimethylphenyl)butanoic acid.

Molecular Properties

Compound Name3-(ethylamino)-4-(4-methoxy-2,5-dimethylphenyl)butanoic acid
PubChem CID82351161
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-(ethylamino)-4-(4-methoxy-2,5-dimethylphenyl)butanoic acid
SMILESCCNC(CC(=O)O)Cc1cc(C)c(OC)cc1C
InChIInChI=1S/C15H23NO3/c1-5-16-13(9-15(17)18)8-12-6-11(3)14(19-4)7-10(12)2/h6-7,13,16H,5,8-9H2,1-4H3,(H,17,18)
InChIKeyYRFFMWWDODPUOF-UHFFFAOYSA-N
XLogP2.31
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

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Related Compounds

3-(2-hydroxyethylamino)-4-(4-methoxy-2,5-dimethylphenyl)butanoic acid
CID 82351155
4-[(4-methoxy-2,5-dimethylphenyl)methylamino]-3-methylbutanoic acid
CID 115219916
2-amino-3-(4-methoxy-2,5-dimethylphenyl)-N-methylpropanamide
CID 116850512
3-hydroxy-3-(4-methoxy-2,5-dimethylphenyl)propanoic acid
CID 82366763
4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-methylbutanoic acid
CID 116926751
3-[(4-methoxy-2,5-dimethylphenyl)methylamino]propanoic acid
CID 98784083
4-(4-methoxy-2,5-dimethylphenyl)-4-oxo-3-(propylamino)butanoic acid
CID 82350041
5-(4-methoxy-2,5-dimethylphenyl)pentanoic acid
CID 93185741
4-(2,5-dimethoxyphenyl)-3-(2-methylpropylamino)butanoic acid
CID 82350796
2-(ethylamino)-1-(4-methoxy-2,5-dimethylphenyl)butan-1-one
CID 112512495
4-(2-methoxy-3,5-dimethylphenyl)-3-(2-methoxyethylamino)butanoic acid
CID 82350914
3-(ethylamino)-3-(2,4,5-trimethoxyphenyl)propanoic acid
CID 65233872

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-4-(4-methoxy-2,5-dimethylphenyl)butanoic acid?
The IUPAC name of 3-(ethylamino)-4-(4-methoxy-2,5-dimethylphenyl)butanoic acid (CID 82351161) is 3-(ethylamino)-4-(4-methoxy-2,5-dimethylphenyl)butanoic acid.
What is the SMILES notation for 3-(ethylamino)-4-(4-methoxy-2,5-dimethylphenyl)butanoic acid?
The canonical SMILES for 3-(ethylamino)-4-(4-methoxy-2,5-dimethylphenyl)butanoic acid is CCNC(CC(=O)O)Cc1cc(C)c(OC)cc1C.
What is the InChIKey of 3-(ethylamino)-4-(4-methoxy-2,5-dimethylphenyl)butanoic acid?
The InChIKey is YRFFMWWDODPUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-16-13(9-15(17)18)8-12-6-11(3)14(19-4)7-10(12)2/h6-7,13,16H,5,8-9H2,1-4H3,(H,17,18).
What are the key properties of 3-(ethylamino)-4-(4-methoxy-2,5-dimethylphenyl)butanoic acid?
3-(ethylamino)-4-(4-methoxy-2,5-dimethylphenyl)butanoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-4-(4-methoxy-2,5-dimethylphenyl)butanoic acid is sourced from PubChem (CID 82351161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).