2-[1-(2-hydroxy-4-methylphenyl)ethylamino]acetic acid

C11H15NO3 — CID 43135042

IUPAC2-[1-(2-hydroxy-4-methylphenyl)ethylamino]acetic acid
SMILESCc1ccc(C(C)NCC(=O)O)c(O)c1
InChIInChI=1S/C11H15NO3/c1-7-3-4-9(10(13)5-7)8(2)12-6-11(14)15/h3-5,8,12-13H,6H2,1-2H3,(H,14,15)
InChIKeyWCUZMZUFQCFDGK-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.44
Rot. Bonds4

About 2-[1-(2-hydroxy-4-methylphenyl)ethylamino]acetic acid

2-[1-(2-hydroxy-4-methylphenyl)ethylamino]acetic acid (PubChem CID 43135042) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 2-[1-(2-hydroxy-4-methylphenyl)ethylamino]acetic acid.

Molecular Properties

Compound Name2-[1-(2-hydroxy-4-methylphenyl)ethylamino]acetic acid
PubChem CID43135042
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name2-[1-(2-hydroxy-4-methylphenyl)ethylamino]acetic acid
SMILESCc1ccc(C(C)NCC(=O)O)c(O)c1
InChIInChI=1S/C11H15NO3/c1-7-3-4-9(10(13)5-7)8(2)12-6-11(14)15/h3-5,8,12-13H,6H2,1-2H3,(H,14,15)
InChIKeyWCUZMZUFQCFDGK-UHFFFAOYSA-N
XLogP1.44
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(2-hydroxy-4-methylphenyl)ethylamino]propanamide
CID 43553192
2-[1-[(2-hydroxyphenyl)methylamino]ethyl]-5-methylphenol
CID 104582169
2-[1-(5-hydroxypentylamino)ethyl]-5-methylphenol
CID 107303108
2-[1-(4-aminobutylamino)ethyl]-5-methylphenol
CID 60895616
2-[1-[[3-(hydroxymethyl)phenyl]methylamino]ethyl]-5-methylphenol
CID 104582327
5-methyl-2-[1-[(2-methyl-2-phenylpropyl)amino]ethyl]phenol
CID 60988135
2-[1-(2,4-dihydroxyphenyl)ethylamino]-N-propan-2-ylacetamide
CID 43567781
2-[1-(3-methoxypropylamino)ethyl]-5-methylphenol
CID 43205159
5-methyl-2-[1-(1H-pyrazol-5-ylmethylamino)ethyl]phenol
CID 61285275
methyl 2-[1-(2-hydroxy-4-methylphenyl)ethylamino]propanoate
CID 60780541
2-[1-(1-hydroxynaphthalen-2-yl)ethylamino]acetic acid
CID 43135176
5-methyl-2-[1-[2-(2-methylpropoxy)ethylamino]ethyl]phenol
CID 104582004

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxy-4-methylphenyl)ethylamino]acetic acid?
The IUPAC name of 2-[1-(2-hydroxy-4-methylphenyl)ethylamino]acetic acid (CID 43135042) is 2-[1-(2-hydroxy-4-methylphenyl)ethylamino]acetic acid.
What is the SMILES notation for 2-[1-(2-hydroxy-4-methylphenyl)ethylamino]acetic acid?
The canonical SMILES for 2-[1-(2-hydroxy-4-methylphenyl)ethylamino]acetic acid is Cc1ccc(C(C)NCC(=O)O)c(O)c1.
What is the InChIKey of 2-[1-(2-hydroxy-4-methylphenyl)ethylamino]acetic acid?
The InChIKey is WCUZMZUFQCFDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-7-3-4-9(10(13)5-7)8(2)12-6-11(14)15/h3-5,8,12-13H,6H2,1-2H3,(H,14,15).
What are the key properties of 2-[1-(2-hydroxy-4-methylphenyl)ethylamino]acetic acid?
2-[1-(2-hydroxy-4-methylphenyl)ethylamino]acetic acid has a molecular weight of 209.24 g/mol, XLogP of 1.44, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxy-4-methylphenyl)ethylamino]acetic acid is sourced from PubChem (CID 43135042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).