2-[1-(4-ethylphenyl)propylamino]-2-methylpentanoic acid

C17H27NO2 — CID 65055646

IUPAC2-[1-(4-ethylphenyl)propylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(CC)c1ccc(CC)cc1)C(=O)O
InChIInChI=1S/C17H27NO2/c1-5-12-17(4,16(19)20)18-15(7-3)14-10-8-13(6-2)9-11-14/h8-11,15,18H,5-7,12H2,1-4H3,(H,19,20)
InChIKeyIYYHMNGLUDCFMW-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.93
Rot. Bonds8

About 2-[1-(4-ethylphenyl)propylamino]-2-methylpentanoic acid

2-[1-(4-ethylphenyl)propylamino]-2-methylpentanoic acid (PubChem CID 65055646) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[1-(4-ethylphenyl)propylamino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[1-(4-ethylphenyl)propylamino]-2-methylpentanoic acid
PubChem CID65055646
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-[1-(4-ethylphenyl)propylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(CC)c1ccc(CC)cc1)C(=O)O
InChIInChI=1S/C17H27NO2/c1-5-12-17(4,16(19)20)18-15(7-3)14-10-8-13(6-2)9-11-14/h8-11,15,18H,5-7,12H2,1-4H3,(H,19,20)
InChIKeyIYYHMNGLUDCFMW-UHFFFAOYSA-N
XLogP3.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methylpentanoic acid
CID 112586666
2-methyl-2-[(2-methyl-1-phenylpropyl)amino]pentanoic acid
CID 65055783
2-[1-[4-(dimethylamino)phenyl]ethylamino]-2-methylpentanoic acid
CID 65055305
3-[1-(4-ethylphenyl)propylamino]propanoic acid
CID 43310130
3-[1-(4-ethylphenyl)propylamino]-N,2,2-trimethylpropanamide
CID 103917285
2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-2-methylpentanoic acid
CID 65055942
4-(4-ethylphenyl)-4-(methylamino)butanoic acid
CID 112517844
4-[1-(4-ethylphenyl)propylamino]-3,3-dimethylbutan-1-ol
CID 103787569
2-[(4-ethylphenyl)methylamino]-2-methylbutanoic acid
CID 79801788
methyl (2S)-2-[1-(4-ethylphenyl)propylamino]propanoate
CID 43723542
2-anilino-2-methylpentanoic acid
CID 60992039
4-(4-ethylphenyl)-4-hydroxy-2,2-dimethylbutanoic acid
CID 65297591

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethylphenyl)propylamino]-2-methylpentanoic acid?
The IUPAC name of 2-[1-(4-ethylphenyl)propylamino]-2-methylpentanoic acid (CID 65055646) is 2-[1-(4-ethylphenyl)propylamino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[1-(4-ethylphenyl)propylamino]-2-methylpentanoic acid?
The canonical SMILES for 2-[1-(4-ethylphenyl)propylamino]-2-methylpentanoic acid is CCCC(C)(NC(CC)c1ccc(CC)cc1)C(=O)O.
What is the InChIKey of 2-[1-(4-ethylphenyl)propylamino]-2-methylpentanoic acid?
The InChIKey is IYYHMNGLUDCFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-5-12-17(4,16(19)20)18-15(7-3)14-10-8-13(6-2)9-11-14/h8-11,15,18H,5-7,12H2,1-4H3,(H,19,20).
What are the key properties of 2-[1-(4-ethylphenyl)propylamino]-2-methylpentanoic acid?
2-[1-(4-ethylphenyl)propylamino]-2-methylpentanoic acid has a molecular weight of 277.41 g/mol, XLogP of 3.93, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethylphenyl)propylamino]-2-methylpentanoic acid is sourced from PubChem (CID 65055646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).