3-amino-3-(5-tert-butyl-2-methoxyphenyl)butanoic acid

C15H23NO3 — CID 82160103

IUPAC3-amino-3-(5-tert-butyl-2-methoxyphenyl)butanoic acid
SMILESCOc1ccc(C(C)(C)C)cc1C(C)(N)CC(=O)O
InChIInChI=1S/C15H23NO3/c1-14(2,3)10-6-7-12(19-5)11(8-10)15(4,16)9-13(17)18/h6-8H,9,16H2,1-5H3,(H,17,18)
InChIKeyPPRXJGJAKOIESO-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.64
Rot. Bonds4

About 3-amino-3-(5-tert-butyl-2-methoxyphenyl)butanoic acid

3-amino-3-(5-tert-butyl-2-methoxyphenyl)butanoic acid (PubChem CID 82160103) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-amino-3-(5-tert-butyl-2-methoxyphenyl)butanoic acid.

Molecular Properties

Compound Name3-amino-3-(5-tert-butyl-2-methoxyphenyl)butanoic acid
PubChem CID82160103
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-amino-3-(5-tert-butyl-2-methoxyphenyl)butanoic acid
SMILESCOc1ccc(C(C)(C)C)cc1C(C)(N)CC(=O)O
InChIInChI=1S/C15H23NO3/c1-14(2,3)10-6-7-12(19-5)11(8-10)15(4,16)9-13(17)18/h6-8H,9,16H2,1-5H3,(H,17,18)
InChIKeyPPRXJGJAKOIESO-UHFFFAOYSA-N
XLogP2.64
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-tert-butyl-2-methoxyphenyl)-2-methylpropanoic acid
CID 82131491
3-amino-3-(3-ethyl-4-methoxyphenyl)butanoic acid
CID 82291919
3-amino-3-(4-methoxy-2,3-dimethylphenyl)butanoic acid
CID 82291925
ethyl 2-amino-2-(5-tert-butyl-2-methoxyphenyl)butanoate
CID 3261124
1-amino-2-(5-tert-butyl-2-methoxyphenyl)propan-2-ol
CID 82049197
2-(2,4-ditert-butylphenoxy)acetic acid
CID 794760
(3S)-3-(2,5-dimethoxyphenyl)-3-hydroxybutanoic acid
CID 36690985
3-(5-iodo-2-methoxyphenyl)-3-methylbutanoic acid
CID 79830010
2-(3-tert-butyl-4-methoxyphenyl)-2-hydrazinylpropanoic acid
CID 82133860
3-(3,4-dimethoxyphenyl)-3-methyl-4-oxopentanoic acid
CID 59956314
2-(3-tert-butyl-4-methoxyphenyl)-2-methylpropan-1-ol
CID 82129591
3-amino-3-(4-ethoxy-3-fluorophenyl)butanoic acid
CID 82292934

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(5-tert-butyl-2-methoxyphenyl)butanoic acid?
The IUPAC name of 3-amino-3-(5-tert-butyl-2-methoxyphenyl)butanoic acid (CID 82160103) is 3-amino-3-(5-tert-butyl-2-methoxyphenyl)butanoic acid.
What is the SMILES notation for 3-amino-3-(5-tert-butyl-2-methoxyphenyl)butanoic acid?
The canonical SMILES for 3-amino-3-(5-tert-butyl-2-methoxyphenyl)butanoic acid is COc1ccc(C(C)(C)C)cc1C(C)(N)CC(=O)O.
What is the InChIKey of 3-amino-3-(5-tert-butyl-2-methoxyphenyl)butanoic acid?
The InChIKey is PPRXJGJAKOIESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-14(2,3)10-6-7-12(19-5)11(8-10)15(4,16)9-13(17)18/h6-8H,9,16H2,1-5H3,(H,17,18).
What are the key properties of 3-amino-3-(5-tert-butyl-2-methoxyphenyl)butanoic acid?
3-amino-3-(5-tert-butyl-2-methoxyphenyl)butanoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(5-tert-butyl-2-methoxyphenyl)butanoic acid is sourced from PubChem (CID 82160103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).