3-(3-tert-butyl-4-hydroxy-5-methylphenyl)-3-(2,2,6,6-tetramethylpiperidin-1-yl)propanoic acid

C23H37NO3 — CID 88806863

IUPAC3-(3-tert-butyl-4-hydroxy-5-methylphenyl)-3-(2,2,6,6-tetramethylpiperidin-1-yl)propanoic acid
SMILESCc1cc(C(CC(=O)O)N2C(C)(C)CCCC2(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C23H37NO3/c1-15-12-16(13-17(20(15)27)21(2,3)4)18(14-19(25)26)24-22(5,6)10-9-11-23(24,7)8/h12-13,18,27H,9-11,14H2,1-8H3,(H,25,26)
InChIKeyMHHOKYJOHMGVQN-UHFFFAOYSA-N
MW375.55 g/mol
LogP5.56
Rot. Bonds4

About 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)-3-(2,2,6,6-tetramethylpiperidin-1-yl)propanoic acid

3-(3-tert-butyl-4-hydroxy-5-methylphenyl)-3-(2,2,6,6-tetramethylpiperidin-1-yl)propanoic acid (PubChem CID 88806863) has the molecular formula C23H37NO3 and a molecular weight of 375.55 g/mol. Its IUPAC name is 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)-3-(2,2,6,6-tetramethylpiperidin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-tert-butyl-4-hydroxy-5-methylphenyl)-3-(2,2,6,6-tetramethylpiperidin-1-yl)propanoic acid
PubChem CID88806863
Molecular FormulaC23H37NO3
Molecular Weight375.55 g/mol
Exact Mass375.28
IUPAC Name3-(3-tert-butyl-4-hydroxy-5-methylphenyl)-3-(2,2,6,6-tetramethylpiperidin-1-yl)propanoic acid
SMILESCc1cc(C(CC(=O)O)N2C(C)(C)CCCC2(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C23H37NO3/c1-15-12-16(13-17(20(15)27)21(2,3)4)18(14-19(25)26)24-22(5,6)10-9-11-23(24,7)8/h12-13,18,27H,9-11,14H2,1-8H3,(H,25,26)
InChIKeyMHHOKYJOHMGVQN-UHFFFAOYSA-N
XLogP5.56
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.55
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)-3-(2,2,6,6-tetramethylpiperidin-1-yl)propanoic acid with MolForge

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Related Compounds

2,2-bis(3-tert-butyl-4-hydroxy-5-methylphenyl)acetic acid
CID 21455364
2-tert-butyl-6-methyl-4-[1,2,2-tris(3-tert-butyl-4-hydroxy-5-methylphenyl)ethyl]phenol
CID 22725885
2-tert-butyl-4-[1-(3-tert-butyl-4-hydroxy-5-methylphenyl)butyl]-6-methylphenol
CID 22019961
3-amino-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid;hydrate
CID 170872551
ethyl 2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-2-hydroxyacetate
CID 117420045
2-tert-butyl-4-[1-(3-tert-butyl-4-hydroxy-5-methylphenyl)propyl]-6-methylphenol;2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenol
CID 160596622
2-tert-butyl-4,6-dimethylphenol
CID 87814182
1-(3-tert-butyl-4-hydroxy-5-methylphenyl)sulfanylpropan-2-one
CID 126709678
4-(3-tert-butyl-4-hydroxy-5-methylphenoxy)butanoic acid
CID 139839087
5-(3-tert-butyl-4-hydroxy-5-methylphenyl)-2,5-dimethylhexanoic acid
CID 88714569
2-tert-butyl-4-(1-chloro-2-phenylethyl)-6-methylphenol;sulfane
CID 174778853
3-(3,5-ditert-butyl-4-hydroxyphenyl)-9-hydroxynonanoic acid
CID 118452560

Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)-3-(2,2,6,6-tetramethylpiperidin-1-yl)propanoic acid?
The IUPAC name of 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)-3-(2,2,6,6-tetramethylpiperidin-1-yl)propanoic acid (CID 88806863) is 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)-3-(2,2,6,6-tetramethylpiperidin-1-yl)propanoic acid.
What is the SMILES notation for 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)-3-(2,2,6,6-tetramethylpiperidin-1-yl)propanoic acid?
The canonical SMILES for 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)-3-(2,2,6,6-tetramethylpiperidin-1-yl)propanoic acid is Cc1cc(C(CC(=O)O)N2C(C)(C)CCCC2(C)C)cc(C(C)(C)C)c1O.
What is the InChIKey of 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)-3-(2,2,6,6-tetramethylpiperidin-1-yl)propanoic acid?
The InChIKey is MHHOKYJOHMGVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37NO3/c1-15-12-16(13-17(20(15)27)21(2,3)4)18(14-19(25)26)24-22(5,6)10-9-11-23(24,7)8/h12-13,18,27H,9-11,14H2,1-8H3,(H,25,26).
What are the key properties of 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)-3-(2,2,6,6-tetramethylpiperidin-1-yl)propanoic acid?
3-(3-tert-butyl-4-hydroxy-5-methylphenyl)-3-(2,2,6,6-tetramethylpiperidin-1-yl)propanoic acid has a molecular weight of 375.55 g/mol, XLogP of 5.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)-3-(2,2,6,6-tetramethylpiperidin-1-yl)propanoic acid is sourced from PubChem (CID 88806863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).