3-(3-butan-2-yloxyanilino)-2,2-dimethylpropanoic acid

C15H23NO3 — CID 79624884

IUPAC3-(3-butan-2-yloxyanilino)-2,2-dimethylpropanoic acid
SMILESCCC(C)Oc1cccc(NCC(C)(C)C(=O)O)c1
InChIInChI=1S/C15H23NO3/c1-5-11(2)19-13-8-6-7-12(9-13)16-10-15(3,4)14(17)18/h6-9,11,16H,5,10H2,1-4H3,(H,17,18)
InChIKeyUZUPQIYPTKRDIU-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.39
Rot. Bonds7

About 3-(3-butan-2-yloxyanilino)-2,2-dimethylpropanoic acid

3-(3-butan-2-yloxyanilino)-2,2-dimethylpropanoic acid (PubChem CID 79624884) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-(3-butan-2-yloxyanilino)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(3-butan-2-yloxyanilino)-2,2-dimethylpropanoic acid
PubChem CID79624884
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-(3-butan-2-yloxyanilino)-2,2-dimethylpropanoic acid
SMILESCCC(C)Oc1cccc(NCC(C)(C)C(=O)O)c1
InChIInChI=1S/C15H23NO3/c1-5-11(2)19-13-8-6-7-12(9-13)16-10-15(3,4)14(17)18/h6-9,11,16H,5,10H2,1-4H3,(H,17,18)
InChIKeyUZUPQIYPTKRDIU-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-butan-2-yloxyanilino)-2-methylbutan-2-ol
CID 114493050
2-(3-butan-2-yloxyanilino)acetic acid
CID 62328764
2-[(3-butan-2-yloxyphenyl)carbamoylamino]-2-methylpropanoic acid
CID 62329609
3-butan-2-yloxy-N-(3,3,3-trifluoropropyl)aniline
CID 64554822
2-(3-butan-2-yloxyanilino)ethanol
CID 62328235
2-(3-butan-2-yloxyanilino)-N-methylacetamide
CID 54830374
ethyl 3-(3-butan-2-yloxyanilino)propanoate
CID 62327020
2-(3-butan-2-yloxyanilino)-1-pyrrolidin-1-ylethanone
CID 62328413
3-butan-2-yloxy-N-[(2,6-dichlorophenyl)methyl]aniline
CID 63478157
N-[2-(3-butan-2-yloxyanilino)ethyl]acetamide
CID 107529384
2-(3-butan-2-yloxyanilino)-N-(2-methylbutan-2-yl)acetamide
CID 62328408
3-(3-butan-2-yloxyanilino)-N-ethylpropanamide
CID 62327713

Frequently Asked Questions

What is the IUPAC name of 3-(3-butan-2-yloxyanilino)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(3-butan-2-yloxyanilino)-2,2-dimethylpropanoic acid (CID 79624884) is 3-(3-butan-2-yloxyanilino)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(3-butan-2-yloxyanilino)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(3-butan-2-yloxyanilino)-2,2-dimethylpropanoic acid is CCC(C)Oc1cccc(NCC(C)(C)C(=O)O)c1.
What is the InChIKey of 3-(3-butan-2-yloxyanilino)-2,2-dimethylpropanoic acid?
The InChIKey is UZUPQIYPTKRDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-11(2)19-13-8-6-7-12(9-13)16-10-15(3,4)14(17)18/h6-9,11,16H,5,10H2,1-4H3,(H,17,18).
What are the key properties of 3-(3-butan-2-yloxyanilino)-2,2-dimethylpropanoic acid?
3-(3-butan-2-yloxyanilino)-2,2-dimethylpropanoic acid has a molecular weight of 265.35 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-butan-2-yloxyanilino)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 79624884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).