2-[(2-hydroxyphenyl)methyl-methylamino]propanoic acid

C11H15NO3 — CID 65060241

IUPAC2-[(2-hydroxyphenyl)methyl-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)Cc1ccccc1O
InChIInChI=1S/C11H15NO3/c1-8(11(14)15)12(2)7-9-5-3-4-6-10(9)13/h3-6,8,13H,7H2,1-2H3,(H,14,15)
InChIKeyKJGXRCXISSERAH-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.30
Rot. Bonds4

About 2-[(2-hydroxyphenyl)methyl-methylamino]propanoic acid

2-[(2-hydroxyphenyl)methyl-methylamino]propanoic acid (PubChem CID 65060241) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-[(2-hydroxyphenyl)methyl-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(2-hydroxyphenyl)methyl-methylamino]propanoic acid
PubChem CID65060241
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name2-[(2-hydroxyphenyl)methyl-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)Cc1ccccc1O
InChIInChI=1S/C11H15NO3/c1-8(11(14)15)12(2)7-9-5-3-4-6-10(9)13/h3-6,8,13H,7H2,1-2H3,(H,14,15)
InChIKeyKJGXRCXISSERAH-UHFFFAOYSA-N
XLogP1.30
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[methyl-[(2-methylphenyl)methyl]amino]propanoic acid
CID 61412127
(2R)-2-[methyl(naphthalen-1-ylmethyl)amino]propanoic acid
CID 94522375
2-[methyl-[[2-(2-methylphenyl)phenyl]methyl]amino]propanoic acid
CID 122036926
(2S)-2-[(2-ethoxyphenyl)methyl-methylamino]propanoic acid
CID 92930759
2-[(2-butoxyphenyl)methyl-methylamino]propanoic acid
CID 122036759
2-[(2-cyclopentyloxyphenyl)methyl-methylamino]propanoic acid
CID 122036930
2-[(2,4-dichlorophenyl)methyl-methylamino]propanoic acid
CID 62638137
2-[(5-fluoro-2-methylphenyl)methyl-methylamino]propanoic acid
CID 105372419
2-[methyl-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid;hydrochloride
CID 119913207
2-[acetyl(benzyl)amino]propanoic acid
CID 11053213
(2S)-2-[acetyl(benzyl)amino]propanoic acid
CID 39244624
3-[(2-fluorophenyl)methyl-methylamino]butan-2-one
CID 62037501

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxyphenyl)methyl-methylamino]propanoic acid?
The IUPAC name of 2-[(2-hydroxyphenyl)methyl-methylamino]propanoic acid (CID 65060241) is 2-[(2-hydroxyphenyl)methyl-methylamino]propanoic acid.
What is the SMILES notation for 2-[(2-hydroxyphenyl)methyl-methylamino]propanoic acid?
The canonical SMILES for 2-[(2-hydroxyphenyl)methyl-methylamino]propanoic acid is CC(C(=O)O)N(C)Cc1ccccc1O.
What is the InChIKey of 2-[(2-hydroxyphenyl)methyl-methylamino]propanoic acid?
The InChIKey is KJGXRCXISSERAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8(11(14)15)12(2)7-9-5-3-4-6-10(9)13/h3-6,8,13H,7H2,1-2H3,(H,14,15).
What are the key properties of 2-[(2-hydroxyphenyl)methyl-methylamino]propanoic acid?
2-[(2-hydroxyphenyl)methyl-methylamino]propanoic acid has a molecular weight of 209.25 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxyphenyl)methyl-methylamino]propanoic acid is sourced from PubChem (CID 65060241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).