5-(2,5-dimethylphenyl)-5-(methylamino)pentanoic acid

C14H21NO2 — CID 116953082

IUPAC5-(2,5-dimethylphenyl)-5-(methylamino)pentanoic acid
SMILESCNC(CCCC(=O)O)c1cc(C)ccc1C
InChIInChI=1S/C14H21NO2/c1-10-7-8-11(2)12(9-10)13(15-3)5-4-6-14(16)17/h7-9,13,15H,4-6H2,1-3H3,(H,16,17)
InChIKeyGTGAGERMLJJMSZ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.82
Rot. Bonds6

About 5-(2,5-dimethylphenyl)-5-(methylamino)pentanoic acid

5-(2,5-dimethylphenyl)-5-(methylamino)pentanoic acid (PubChem CID 116953082) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-(2,5-dimethylphenyl)-5-(methylamino)pentanoic acid.

Molecular Properties

Compound Name5-(2,5-dimethylphenyl)-5-(methylamino)pentanoic acid
PubChem CID116953082
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name5-(2,5-dimethylphenyl)-5-(methylamino)pentanoic acid
SMILESCNC(CCCC(=O)O)c1cc(C)ccc1C
InChIInChI=1S/C14H21NO2/c1-10-7-8-11(2)12(9-10)13(15-3)5-4-6-14(16)17/h7-9,13,15H,4-6H2,1-3H3,(H,16,17)
InChIKeyGTGAGERMLJJMSZ-UHFFFAOYSA-N
XLogP2.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylphenyl)-N-methylpentan-1-amine
CID 43483753
3-(2,5-dimethylphenyl)-3-(methylamino)propan-1-ol
CID 64812187
1-(2,5-dimethylphenyl)-N-methyl-4-phenylbutan-1-amine
CID 115849503
(2S)-2-(2,5-dimethylphenyl)-2-(methylamino)ethanol
CID 55276234
1-(2,5-dimethylphenyl)-N-methylpropan-1-amine
CID 43483756
1-(2,5-dimethylphenyl)-N-methyl-3-(4-methylphenyl)propan-1-amine
CID 105120019
1-(2,5-dimethylphenyl)-N-methyl-3-propoxypropan-1-amine
CID 105120142
5-[[2-(2,5-dimethylphenyl)acetyl]amino]hexanoic acid
CID 82854155
3-[tert-butyl-[1-(2,5-dimethylphenyl)ethyl]amino]propanoic acid
CID 65058278
2-(2,5-dimethylphenoxy)-1-(2,5-dimethylphenyl)-N-methylethanamine
CID 63476135
4-(2,5-dimethylphenyl)-3,3-dimethyl-4-(methylamino)butanoic acid
CID 116953536
methyl 4-(2,4-dimethylphenyl)-4-(methylamino)butanoate
CID 116955511

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylphenyl)-5-(methylamino)pentanoic acid?
The IUPAC name of 5-(2,5-dimethylphenyl)-5-(methylamino)pentanoic acid (CID 116953082) is 5-(2,5-dimethylphenyl)-5-(methylamino)pentanoic acid.
What is the SMILES notation for 5-(2,5-dimethylphenyl)-5-(methylamino)pentanoic acid?
The canonical SMILES for 5-(2,5-dimethylphenyl)-5-(methylamino)pentanoic acid is CNC(CCCC(=O)O)c1cc(C)ccc1C.
What is the InChIKey of 5-(2,5-dimethylphenyl)-5-(methylamino)pentanoic acid?
The InChIKey is GTGAGERMLJJMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-7-8-11(2)12(9-10)13(15-3)5-4-6-14(16)17/h7-9,13,15H,4-6H2,1-3H3,(H,16,17).
What are the key properties of 5-(2,5-dimethylphenyl)-5-(methylamino)pentanoic acid?
5-(2,5-dimethylphenyl)-5-(methylamino)pentanoic acid has a molecular weight of 235.33 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylphenyl)-5-(methylamino)pentanoic acid is sourced from PubChem (CID 116953082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).