2-[2-(2-aminopropyl)-4-methylphenoxy]pentanoic acid

C15H23NO3 — CID 83048867

IUPAC2-[2-(2-aminopropyl)-4-methylphenoxy]pentanoic acid
SMILESCCCC(Oc1ccc(C)cc1CC(C)N)C(=O)O
InChIInChI=1S/C15H23NO3/c1-4-5-14(15(17)18)19-13-7-6-10(2)8-12(13)9-11(3)16/h6-8,11,14H,4-5,9,16H2,1-3H3,(H,17,18)
InChIKeyWMCFTMIKRIXZDH-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.52
Rot. Bonds7

About 2-[2-(2-aminopropyl)-4-methylphenoxy]pentanoic acid

2-[2-(2-aminopropyl)-4-methylphenoxy]pentanoic acid (PubChem CID 83048867) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[2-(2-aminopropyl)-4-methylphenoxy]pentanoic acid.

Molecular Properties

Compound Name2-[2-(2-aminopropyl)-4-methylphenoxy]pentanoic acid
PubChem CID83048867
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-[2-(2-aminopropyl)-4-methylphenoxy]pentanoic acid
SMILESCCCC(Oc1ccc(C)cc1CC(C)N)C(=O)O
InChIInChI=1S/C15H23NO3/c1-4-5-14(15(17)18)19-13-7-6-10(2)8-12(13)9-11(3)16/h6-8,11,14H,4-5,9,16H2,1-3H3,(H,17,18)
InChIKeyWMCFTMIKRIXZDH-UHFFFAOYSA-N
XLogP2.52
TPSA72.55 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 ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]pentanoic acid
CID 83041581
2-[4-(2-aminopropyl)-2-methoxyphenoxy]pentanoic acid
CID 83049966
ethyl 2-[2-(2-aminopropyl)phenoxy]pentanoate
CID 83049068
2-[2-(2-aminobutyl)-4-bromophenoxy]pentanoic acid
CID 83049346
2-amino-3-(5-methyl-2-propan-2-yloxyphenyl)propanoic acid
CID 117347034
ethyl 2-[2-(2-aminobutyl)-4-methylphenoxy]butanoate
CID 64663407
ethyl 2-[2-(2-aminopropyl)-4-methylphenoxy]acetate
CID 63326114
2-[2-(2-aminopropyl)-4-methylphenoxy]-N-propan-2-ylpropanamide
CID 63325896
2-[2-(2-aminopropyl)-4-methylphenoxy]-N-(2-methylpropyl)propanamide
CID 63325804
ethyl 2-[2-(2-aminobutyl)-4-methylphenoxy]propanoate
CID 63326295
2-(2-ethylphenoxy)pentanoic acid
CID 83038631
2-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]pentanoic acid
CID 83037676

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminopropyl)-4-methylphenoxy]pentanoic acid?
The IUPAC name of 2-[2-(2-aminopropyl)-4-methylphenoxy]pentanoic acid (CID 83048867) is 2-[2-(2-aminopropyl)-4-methylphenoxy]pentanoic acid.
What is the SMILES notation for 2-[2-(2-aminopropyl)-4-methylphenoxy]pentanoic acid?
The canonical SMILES for 2-[2-(2-aminopropyl)-4-methylphenoxy]pentanoic acid is CCCC(Oc1ccc(C)cc1CC(C)N)C(=O)O.
What is the InChIKey of 2-[2-(2-aminopropyl)-4-methylphenoxy]pentanoic acid?
The InChIKey is WMCFTMIKRIXZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-5-14(15(17)18)19-13-7-6-10(2)8-12(13)9-11(3)16/h6-8,11,14H,4-5,9,16H2,1-3H3,(H,17,18).
What are the key properties of 2-[2-(2-aminopropyl)-4-methylphenoxy]pentanoic acid?
2-[2-(2-aminopropyl)-4-methylphenoxy]pentanoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminopropyl)-4-methylphenoxy]pentanoic acid is sourced from PubChem (CID 83048867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).