2-[1-(2-hydroxyphenyl)ethylamino]propanoic acid

C11H15NO3 — CID 61499506

IUPAC2-[1-(2-hydroxyphenyl)ethylamino]propanoic acid
SMILESCC(NC(C)c1ccccc1O)C(=O)O
InChIInChI=1S/C11H15NO3/c1-7(12-8(2)11(14)15)9-5-3-4-6-10(9)13/h3-8,12-13H,1-2H3,(H,14,15)
InChIKeyAPSSINNZPFUMQH-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.52
Rot. Bonds4

About 2-[1-(2-hydroxyphenyl)ethylamino]propanoic acid

2-[1-(2-hydroxyphenyl)ethylamino]propanoic acid (PubChem CID 61499506) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-[1-(2-hydroxyphenyl)ethylamino]propanoic acid.

Molecular Properties

Compound Name2-[1-(2-hydroxyphenyl)ethylamino]propanoic acid
PubChem CID61499506
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name2-[1-(2-hydroxyphenyl)ethylamino]propanoic acid
SMILESCC(NC(C)c1ccccc1O)C(=O)O
InChIInChI=1S/C11H15NO3/c1-7(12-8(2)11(14)15)9-5-3-4-6-10(9)13/h3-8,12-13H,1-2H3,(H,14,15)
InChIKeyAPSSINNZPFUMQH-UHFFFAOYSA-N
XLogP1.52
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.52
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

2-(1-phenylethylamino)propanoic acid;hydrochloride
CID 75479950
2-[1-(2,3-dichlorophenyl)ethylamino]propanoic acid
CID 103914711
2-[[(1R)-1-(2-hydroxyphenyl)ethyl]amino]propane-1,3-diol
CID 96979742
2-[1-[[carboxy-(2-hydroxyphenyl)methyl]amino]ethylamino]-2-(2-hydroxyphenyl)acetic acid
CID 141037281
2-[1-[(1-hydroxy-4-methylpentan-2-yl)amino]ethyl]phenol
CID 61240308
2-[1-[5-(butanoylamino)-2-hydroxyphenyl]ethylamino]propanoic acid
CID 61499719
2-(1-nitrosoethyl)phenol
CID 54318967
2-[1-(2-hydroxyphenyl)ethylamino]benzoic acid
CID 43322121
2-[[(1R)-1-(2-methylphenyl)ethyl]amino]propanamide
CID 81375516
2-[1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]ethyl]phenol
CID 81347161
2-[1-(2-hydroxy-4-methylphenyl)ethylamino]-2-phenylacetic acid
CID 62110663
(2S)-2-[[(1S)-1-carboxyethyl]amino]propanoic acid
CID 10953819

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxyphenyl)ethylamino]propanoic acid?
The IUPAC name of 2-[1-(2-hydroxyphenyl)ethylamino]propanoic acid (CID 61499506) is 2-[1-(2-hydroxyphenyl)ethylamino]propanoic acid.
What is the SMILES notation for 2-[1-(2-hydroxyphenyl)ethylamino]propanoic acid?
The canonical SMILES for 2-[1-(2-hydroxyphenyl)ethylamino]propanoic acid is CC(NC(C)c1ccccc1O)C(=O)O.
What is the InChIKey of 2-[1-(2-hydroxyphenyl)ethylamino]propanoic acid?
The InChIKey is APSSINNZPFUMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-7(12-8(2)11(14)15)9-5-3-4-6-10(9)13/h3-8,12-13H,1-2H3,(H,14,15).
What are the key properties of 2-[1-(2-hydroxyphenyl)ethylamino]propanoic acid?
2-[1-(2-hydroxyphenyl)ethylamino]propanoic acid has a molecular weight of 209.25 g/mol, XLogP of 1.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxyphenyl)ethylamino]propanoic acid is sourced from PubChem (CID 61499506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).