3-[3-(2-aminobutyl)phenoxy]-2,2-dimethylpropanoic acid

C15H23NO3 — CID 79621115

IUPAC3-[3-(2-aminobutyl)phenoxy]-2,2-dimethylpropanoic acid
SMILESCCC(N)Cc1cccc(OCC(C)(C)C(=O)O)c1
InChIInChI=1S/C15H23NO3/c1-4-12(16)8-11-6-5-7-13(9-11)19-10-15(2,3)14(17)18/h5-7,9,12H,4,8,10,16H2,1-3H3,(H,17,18)
InChIKeyUHHAIBDBNUNVTQ-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.46
Rot. Bonds7

About 3-[3-(2-aminobutyl)phenoxy]-2,2-dimethylpropanoic acid

3-[3-(2-aminobutyl)phenoxy]-2,2-dimethylpropanoic acid (PubChem CID 79621115) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-[3-(2-aminobutyl)phenoxy]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[3-(2-aminobutyl)phenoxy]-2,2-dimethylpropanoic acid
PubChem CID79621115
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-[3-(2-aminobutyl)phenoxy]-2,2-dimethylpropanoic acid
SMILESCCC(N)Cc1cccc(OCC(C)(C)C(=O)O)c1
InChIInChI=1S/C15H23NO3/c1-4-12(16)8-11-6-5-7-13(9-11)19-10-15(2,3)14(17)18/h5-7,9,12H,4,8,10,16H2,1-3H3,(H,17,18)
InChIKeyUHHAIBDBNUNVTQ-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[3-(2-aminobutyl)phenoxy]-2,2-dimethylpropanoate
CID 79620949
1-[3-(2,2,2-trifluoroethoxy)phenyl]butan-2-amine
CID 54929405
methyl 2-[3-(2-aminobutyl)phenoxy]acetate
CID 54929271
3-[3-(1-aminoethyl)phenoxy]-2,2-dimethylpropanoic acid
CID 79628999
methyl 3-[3-(2-aminobutyl)phenoxy]propanoate
CID 63947689
1-[3-(3-ethylsulfonylpropoxy)phenyl]butan-2-amine
CID 65095474
3-[3-(2-aminobutyl)phenoxy]-N-methylpropanamide
CID 62325770
1-[3-(3-methoxy-3-methylbutoxy)phenyl]butan-2-amine
CID 103036253
2-[3-(2-aminobutyl)phenoxy]-N-methyl-N-propan-2-ylacetamide
CID 60907872
3-[2-(2-aminobutyl)-6-fluorophenoxy]-2,2-dimethylpropanoic acid
CID 115958830
1-[3-(3-methylbut-2-enoxy)phenyl]butan-2-amine
CID 54929170
1-(3-prop-2-ynoxyphenyl)butan-2-amine
CID 60907609

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-aminobutyl)phenoxy]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[3-(2-aminobutyl)phenoxy]-2,2-dimethylpropanoic acid (CID 79621115) is 3-[3-(2-aminobutyl)phenoxy]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[3-(2-aminobutyl)phenoxy]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[3-(2-aminobutyl)phenoxy]-2,2-dimethylpropanoic acid is CCC(N)Cc1cccc(OCC(C)(C)C(=O)O)c1.
What is the InChIKey of 3-[3-(2-aminobutyl)phenoxy]-2,2-dimethylpropanoic acid?
The InChIKey is UHHAIBDBNUNVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-12(16)8-11-6-5-7-13(9-11)19-10-15(2,3)14(17)18/h5-7,9,12H,4,8,10,16H2,1-3H3,(H,17,18).
What are the key properties of 3-[3-(2-aminobutyl)phenoxy]-2,2-dimethylpropanoic acid?
3-[3-(2-aminobutyl)phenoxy]-2,2-dimethylpropanoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-aminobutyl)phenoxy]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 79621115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).