2-hydroxy-3-[(4-hydroxyphenyl)methylamino]-2-methylpropanoic acid

C11H15NO4 — CID 114331776

IUPAC2-hydroxy-3-[(4-hydroxyphenyl)methylamino]-2-methylpropanoic acid
SMILESCC(O)(CNCc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C11H15NO4/c1-11(16,10(14)15)7-12-6-8-2-4-9(13)5-3-8/h2-5,12-13,16H,6-7H2,1H3,(H,14,15)
InChIKeyWYVFTCJJEZFCHE-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.32
Rot. Bonds5

About 2-hydroxy-3-[(4-hydroxyphenyl)methylamino]-2-methylpropanoic acid

2-hydroxy-3-[(4-hydroxyphenyl)methylamino]-2-methylpropanoic acid (PubChem CID 114331776) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-hydroxy-3-[(4-hydroxyphenyl)methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[(4-hydroxyphenyl)methylamino]-2-methylpropanoic acid
PubChem CID114331776
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name2-hydroxy-3-[(4-hydroxyphenyl)methylamino]-2-methylpropanoic acid
SMILESCC(O)(CNCc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C11H15NO4/c1-11(16,10(14)15)7-12-6-8-2-4-9(13)5-3-8/h2-5,12-13,16H,6-7H2,1H3,(H,14,15)
InChIKeyWYVFTCJJEZFCHE-UHFFFAOYSA-N
XLogP0.32
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-chlorophenyl)methylamino]-2-hydroxy-2-methylpropanoic acid
CID 104643847
2-hydroxy-2-methyl-3-(pyridin-4-ylmethylamino)propanoic acid
CID 104643853
3-[(3,4-dimethoxyphenyl)methylamino]-2-hydroxy-2-methylpropanoic acid
CID 104643968
4-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]phenol
CID 115978599
2-hydroxy-2-methyl-3-[[3-(trifluoromethyl)phenyl]methylamino]propanoic acid
CID 104643670
2-hydroxy-3-[[2-(methoxymethyl)phenyl]methylamino]-2-methylpropanoic acid
CID 104644037
methyl 2-hydroxy-3-[(4-methoxyphenyl)methylamino]-2-methylpropanoate
CID 104643690
2-[4-[[(4-hydroxyphenyl)methylamino]methyl]phenyl]acetic acid
CID 103268485
2-[(4-hydroxyphenyl)methylamino]acetic acid;2-methylpropane
CID 163373715
3-[(4-chlorophenyl)methylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66173045
4-[[(2,3-dihydroxy-2-methylpropyl)amino]methyl]benzoic acid
CID 66170449
2,2-dimethyl-3-[(4-propylphenyl)methylamino]propanoic acid
CID 115136546

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(4-hydroxyphenyl)methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-hydroxy-3-[(4-hydroxyphenyl)methylamino]-2-methylpropanoic acid (CID 114331776) is 2-hydroxy-3-[(4-hydroxyphenyl)methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-hydroxy-3-[(4-hydroxyphenyl)methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-hydroxy-3-[(4-hydroxyphenyl)methylamino]-2-methylpropanoic acid is CC(O)(CNCc1ccc(O)cc1)C(=O)O.
What is the InChIKey of 2-hydroxy-3-[(4-hydroxyphenyl)methylamino]-2-methylpropanoic acid?
The InChIKey is WYVFTCJJEZFCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-11(16,10(14)15)7-12-6-8-2-4-9(13)5-3-8/h2-5,12-13,16H,6-7H2,1H3,(H,14,15).
What are the key properties of 2-hydroxy-3-[(4-hydroxyphenyl)methylamino]-2-methylpropanoic acid?
2-hydroxy-3-[(4-hydroxyphenyl)methylamino]-2-methylpropanoic acid has a molecular weight of 225.24 g/mol, XLogP of 0.32, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(4-hydroxyphenyl)methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 114331776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).