4-amino-2-(4-hydroxyphenyl)-2-methylbutanoic acid

C11H15NO3 — CID 117049848

IUPAC4-amino-2-(4-hydroxyphenyl)-2-methylbutanoic acid
SMILESCC(CCN)(C(=O)O)c1ccc(O)cc1
InChIInChI=1S/C11H15NO3/c1-11(6-7-12,10(14)15)8-2-4-9(13)5-3-8/h2-5,13H,6-7,12H2,1H3,(H,14,15)
InChIKeyIPHIEYSABDBIPW-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.08
Rot. Bonds4

About 4-amino-2-(4-hydroxyphenyl)-2-methylbutanoic acid

4-amino-2-(4-hydroxyphenyl)-2-methylbutanoic acid (PubChem CID 117049848) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-amino-2-(4-hydroxyphenyl)-2-methylbutanoic acid.

Molecular Properties

Compound Name4-amino-2-(4-hydroxyphenyl)-2-methylbutanoic acid
PubChem CID117049848
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name4-amino-2-(4-hydroxyphenyl)-2-methylbutanoic acid
SMILESCC(CCN)(C(=O)O)c1ccc(O)cc1
InChIInChI=1S/C11H15NO3/c1-11(6-7-12,10(14)15)8-2-4-9(13)5-3-8/h2-5,13H,6-7,12H2,1H3,(H,14,15)
InChIKeyIPHIEYSABDBIPW-UHFFFAOYSA-N
XLogP1.08
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2-(4-cyanophenyl)-2-methylbutanoic acid
CID 117049839
2-(4-hydroxyphenyl)-2-methylpent-4-enoic acid
CID 117049200
2-(4-chlorophenyl)-2-methylpentanedioic acid
CID 117050161
2-hydroxy-2-(4-hydroxyphenyl)propanoic acid
CID 22056978
2-(4-hydroxyphenyl)-2-(methylamino)propanoic acid
CID 43753640
6-amino-4-(4-chlorophenyl)-2,4-dimethylhexan-3-one
CID 59670752
2-(4-chlorophenyl)-4-cyano-2-methylbutanoic acid
CID 117049620
2-(4-aminophenyl)-2-methylbutanoic acid
CID 67863083
2-(3-hydroxyphenyl)-2-methylpentanoic acid
CID 150101497
4-[(2R)-2-aminobutan-2-yl]phenol
CID 130649235
calcium;hydride;2-methyl-2-phenylhexanoic acid
CID 175225013
2-(4-hydroxyphenyl)-2-(propan-2-ylamino)propanoic acid
CID 43754261

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-hydroxyphenyl)-2-methylbutanoic acid?
The IUPAC name of 4-amino-2-(4-hydroxyphenyl)-2-methylbutanoic acid (CID 117049848) is 4-amino-2-(4-hydroxyphenyl)-2-methylbutanoic acid.
What is the SMILES notation for 4-amino-2-(4-hydroxyphenyl)-2-methylbutanoic acid?
The canonical SMILES for 4-amino-2-(4-hydroxyphenyl)-2-methylbutanoic acid is CC(CCN)(C(=O)O)c1ccc(O)cc1.
What is the InChIKey of 4-amino-2-(4-hydroxyphenyl)-2-methylbutanoic acid?
The InChIKey is IPHIEYSABDBIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-11(6-7-12,10(14)15)8-2-4-9(13)5-3-8/h2-5,13H,6-7,12H2,1H3,(H,14,15).
What are the key properties of 4-amino-2-(4-hydroxyphenyl)-2-methylbutanoic acid?
4-amino-2-(4-hydroxyphenyl)-2-methylbutanoic acid has a molecular weight of 209.25 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-hydroxyphenyl)-2-methylbutanoic acid is sourced from PubChem (CID 117049848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).