2-amino-3-[2-(4-hydroxyphenyl)ethylamino]propanoic acid

C11H16N2O3 — CID 64583240

IUPAC2-amino-3-[2-(4-hydroxyphenyl)ethylamino]propanoic acid
SMILESNC(CNCCc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C11H16N2O3/c12-10(11(15)16)7-13-6-5-8-1-3-9(14)4-2-8/h1-4,10,13-14H,5-7,12H2,(H,15,16)
InChIKeyPGGYXIHRRZFDTB-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.06
Rot. Bonds6

About 2-amino-3-[2-(4-hydroxyphenyl)ethylamino]propanoic acid

2-amino-3-[2-(4-hydroxyphenyl)ethylamino]propanoic acid (PubChem CID 64583240) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-amino-3-[2-(4-hydroxyphenyl)ethylamino]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[2-(4-hydroxyphenyl)ethylamino]propanoic acid
PubChem CID64583240
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-amino-3-[2-(4-hydroxyphenyl)ethylamino]propanoic acid
SMILESNC(CNCCc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C11H16N2O3/c12-10(11(15)16)7-13-6-5-8-1-3-9(14)4-2-8/h1-4,10,13-14H,5-7,12H2,(H,15,16)
InChIKeyPGGYXIHRRZFDTB-UHFFFAOYSA-N
XLogP-0.06
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-[2-(4-chlorophenyl)ethylamino]propanoic acid
CID 64582443
2-amino-3-[2-(4-tert-butylphenyl)ethylamino]propanoic acid
CID 115240811
2-amino-3-[2-(4-butan-2-ylphenyl)ethylamino]propanoic acid
CID 115240826
2-amino-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanoic acid
CID 115240814
2-amino-3-[2-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoic acid
CID 115240823
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrogen peroxide
CID 87135815
2-amino-3-(4-hydroxyphenyl)propanoic acid;λ2-plumbane
CID 175006953
(2S)-2-amino-3-(4-hydroxy(3,5-13C2)cyclohexa-1,3,5-trien-1-yl)propanoic acid
CID 162642143
2-amino-3-[2-(4-chlorophenyl)ethylamino]propanamide
CID 103247068
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;sulfane
CID 161476497
(2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid;azane
CID 87217970
L-Tyrosine (disodium)
CID 66602062

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-(4-hydroxyphenyl)ethylamino]propanoic acid?
The IUPAC name of 2-amino-3-[2-(4-hydroxyphenyl)ethylamino]propanoic acid (CID 64583240) is 2-amino-3-[2-(4-hydroxyphenyl)ethylamino]propanoic acid.
What is the SMILES notation for 2-amino-3-[2-(4-hydroxyphenyl)ethylamino]propanoic acid?
The canonical SMILES for 2-amino-3-[2-(4-hydroxyphenyl)ethylamino]propanoic acid is NC(CNCCc1ccc(O)cc1)C(=O)O.
What is the InChIKey of 2-amino-3-[2-(4-hydroxyphenyl)ethylamino]propanoic acid?
The InChIKey is PGGYXIHRRZFDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c12-10(11(15)16)7-13-6-5-8-1-3-9(14)4-2-8/h1-4,10,13-14H,5-7,12H2,(H,15,16).
What are the key properties of 2-amino-3-[2-(4-hydroxyphenyl)ethylamino]propanoic acid?
2-amino-3-[2-(4-hydroxyphenyl)ethylamino]propanoic acid has a molecular weight of 224.26 g/mol, XLogP of -0.06, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-(4-hydroxyphenyl)ethylamino]propanoic acid is sourced from PubChem (CID 64583240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).