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

C15H23NO4 — CID 117451566

IUPAC4-amino-4-(4-tert-butyl-5-hydroxy-2-methoxyphenyl)butanoic acid
SMILESCOc1cc(C(C)(C)C)c(O)cc1C(N)CCC(=O)O
InChIInChI=1S/C15H23NO4/c1-15(2,3)10-8-13(20-4)9(7-12(10)17)11(16)5-6-14(18)19/h7-8,11,17H,5-6,16H2,1-4H3,(H,18,19)
InChIKeyZBEAXNAMPXHOKC-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.56
Rot. Bonds5

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

4-amino-4-(4-tert-butyl-5-hydroxy-2-methoxyphenyl)butanoic acid (PubChem CID 117451566) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 4-amino-4-(4-tert-butyl-5-hydroxy-2-methoxyphenyl)butanoic acid.

Molecular Properties

Compound Name4-amino-4-(4-tert-butyl-5-hydroxy-2-methoxyphenyl)butanoic acid
PubChem CID117451566
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name4-amino-4-(4-tert-butyl-5-hydroxy-2-methoxyphenyl)butanoic acid
SMILESCOc1cc(C(C)(C)C)c(O)cc1C(N)CCC(=O)O
InChIInChI=1S/C15H23NO4/c1-15(2,3)10-8-13(20-4)9(7-12(10)17)11(16)5-6-14(18)19/h7-8,11,17H,5-6,16H2,1-4H3,(H,18,19)
InChIKeyZBEAXNAMPXHOKC-UHFFFAOYSA-N
XLogP2.56
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-amino-4-(4-tert-butyl-5-hydroxy-2-methoxyphenyl)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)butanoic acid
CID 117417725
4-amino-4-(2,4,5-trimethoxyphenyl)butanoic acid
CID 115005610
4-amino-4-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)butanoic acid
CID 117451567
4-amino-4-[5-(difluoromethyl)-2,4-dimethoxyphenyl]butanoic acid
CID 117467143
4-amino-4-(4-chloro-2,5-dimethoxyphenyl)butanoic acid
CID 117436981
4-amino-4-(4-fluoro-2,5-dimethoxyphenyl)butanoic acid
CID 117395965
4-amino-4-(2-chloro-4-hydroxy-5-methoxyphenyl)butanoic acid
CID 117403332
4-amino-4-(4-chloro-2-hydroxy-5-methoxyphenyl)butanoic acid
CID 117403327
4-amino-4-(4-bromo-2-hydroxy-5-methoxyphenyl)butanoic acid
CID 117488968
4-amino-4-[5-chloro-4-methoxy-2-(trifluoromethyl)phenyl]butanoic acid
CID 117496402
4-amino-4-(5-hydroxy-4-methoxy-2,3-dimethylphenyl)butanoic acid
CID 117385778
4-amino-4-[2-(difluoromethyl)-4,5-dimethoxyphenyl]butanoic acid
CID 117467139

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(4-tert-butyl-5-hydroxy-2-methoxyphenyl)butanoic acid?
The IUPAC name of 4-amino-4-(4-tert-butyl-5-hydroxy-2-methoxyphenyl)butanoic acid (CID 117451566) is 4-amino-4-(4-tert-butyl-5-hydroxy-2-methoxyphenyl)butanoic acid.
What is the SMILES notation for 4-amino-4-(4-tert-butyl-5-hydroxy-2-methoxyphenyl)butanoic acid?
The canonical SMILES for 4-amino-4-(4-tert-butyl-5-hydroxy-2-methoxyphenyl)butanoic acid is COc1cc(C(C)(C)C)c(O)cc1C(N)CCC(=O)O.
What is the InChIKey of 4-amino-4-(4-tert-butyl-5-hydroxy-2-methoxyphenyl)butanoic acid?
The InChIKey is ZBEAXNAMPXHOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-15(2,3)10-8-13(20-4)9(7-12(10)17)11(16)5-6-14(18)19/h7-8,11,17H,5-6,16H2,1-4H3,(H,18,19).
What are the key properties of 4-amino-4-(4-tert-butyl-5-hydroxy-2-methoxyphenyl)butanoic acid?
4-amino-4-(4-tert-butyl-5-hydroxy-2-methoxyphenyl)butanoic acid has a molecular weight of 281.35 g/mol, XLogP of 2.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(4-tert-butyl-5-hydroxy-2-methoxyphenyl)butanoic acid is sourced from PubChem (CID 117451566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).