4-amino-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)butanoic acid

C15H23NO3 — CID 117417725

IUPAC4-amino-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)butanoic acid
SMILESCc1cc(O)c(C(C)(C)C)cc1C(N)CCC(=O)O
InChIInChI=1S/C15H23NO3/c1-9-7-13(17)11(15(2,3)4)8-10(9)12(16)5-6-14(18)19/h7-8,12,17H,5-6,16H2,1-4H3,(H,18,19)
InChIKeyWLXHDQXXIKIGRQ-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.86
Rot. Bonds4

About 4-amino-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)butanoic acid

4-amino-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)butanoic acid (PubChem CID 117417725) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 4-amino-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)butanoic acid.

Molecular Properties

Compound Name4-amino-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)butanoic acid
PubChem CID117417725
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name4-amino-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)butanoic acid
SMILESCc1cc(O)c(C(C)(C)C)cc1C(N)CCC(=O)O
InChIInChI=1S/C15H23NO3/c1-9-7-13(17)11(15(2,3)4)8-10(9)12(16)5-6-14(18)19/h7-8,12,17H,5-6,16H2,1-4H3,(H,18,19)
InChIKeyWLXHDQXXIKIGRQ-UHFFFAOYSA-N
XLogP2.86
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-4-(4-tert-butyl-5-hydroxy-2-methoxyphenyl)butanoic acid
CID 117451566
4-amino-4-(5-fluoro-2-hydroxy-4-methylphenyl)butanoic acid
CID 84691030
5-(1-amino-3-carboxypropyl)-2,4-dimethylbenzoic acid
CID 117380953
2-tert-butyl-4-[1-(5-tert-butyl-4-hydroxy-2-methylphenyl)butyl]-5-methylphenol
CID 162123967
sodium 5,5-bis(5-tert-butyl-4-hydroxy-2-methylphenyl)pentanoate
CID 20829570
4-amino-4-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)butanoic acid
CID 117451567
4-amino-4-(2-fluoro-5-hydroxy-4-methylphenyl)butanoic acid
CID 84791312
2-tert-butyl-5-methyl-4-propan-2-ylphenol
CID 14266735
2-tert-butyl-4-[1-(5-tert-butyl-4-hydroxy-2-methylphenyl)pent-4-enyl]-5-methylphenol
CID 172722860
4-amino-4-(4-hydroxy-2,6-dimethylphenyl)butanoic acid
CID 84688291
4-amino-4-(5-chloro-4-ethoxy-2-methylphenyl)butanoic acid
CID 112519868
2-tert-butyl-5-methyl-4-(3-methylbutan-2-yl)phenol
CID 58510517

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)butanoic acid?
The IUPAC name of 4-amino-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)butanoic acid (CID 117417725) is 4-amino-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)butanoic acid.
What is the SMILES notation for 4-amino-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)butanoic acid?
The canonical SMILES for 4-amino-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)butanoic acid is Cc1cc(O)c(C(C)(C)C)cc1C(N)CCC(=O)O.
What is the InChIKey of 4-amino-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)butanoic acid?
The InChIKey is WLXHDQXXIKIGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-9-7-13(17)11(15(2,3)4)8-10(9)12(16)5-6-14(18)19/h7-8,12,17H,5-6,16H2,1-4H3,(H,18,19).
What are the key properties of 4-amino-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)butanoic acid?
4-amino-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)butanoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)butanoic acid is sourced from PubChem (CID 117417725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).