(2S)-2-amino-3-[4-hydroxy-2-(4-hydroxyphenyl)phenyl]propanoic acid

C15H15NO4 — CID 152754952

IUPAC(2S)-2-amino-3-[4-hydroxy-2-(4-hydroxyphenyl)phenyl]propanoic acid
SMILESN[C@@H](Cc1ccc(O)cc1-c1ccc(O)cc1)C(=O)O
InChIInChI=1S/C15H15NO4/c16-14(15(19)20)7-10-3-6-12(18)8-13(10)9-1-4-11(17)5-2-9/h1-6,8,14,17-18H,7,16H2,(H,19,20)/t14-/m0/s1
InChIKeyWWXXPNVELRGKRK-AWEZNQCLSA-N
MW273.29 g/mol
LogP1.72
Rot. Bonds4

About (2S)-2-amino-3-[4-hydroxy-2-(4-hydroxyphenyl)phenyl]propanoic acid

(2S)-2-amino-3-[4-hydroxy-2-(4-hydroxyphenyl)phenyl]propanoic acid (PubChem CID 152754952) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is (2S)-2-amino-3-[4-hydroxy-2-(4-hydroxyphenyl)phenyl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[4-hydroxy-2-(4-hydroxyphenyl)phenyl]propanoic acid
PubChem CID152754952
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name(2S)-2-amino-3-[4-hydroxy-2-(4-hydroxyphenyl)phenyl]propanoic acid
SMILESN[C@@H](Cc1ccc(O)cc1-c1ccc(O)cc1)C(=O)O
InChIInChI=1S/C15H15NO4/c16-14(15(19)20)7-10-3-6-12(18)8-13(10)9-1-4-11(17)5-2-9/h1-6,8,14,17-18H,7,16H2,(H,19,20)/t14-/m0/s1
InChIKeyWWXXPNVELRGKRK-AWEZNQCLSA-N
XLogP1.72
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(2-amino-4-hydroxyphenyl)propanoic acid
CID 5134354
(2S)-2-amino-3-[2-(2-benzoylphenyl)-4-hydroxyphenyl]propanoic acid
CID 68571937
2-amino-3-(2-fluoro-5-hydroxyphenyl)propanoic acid
CID 14211589
(2S)-2-amino-3-(4-hydroxy-2-phosphonophenyl)propanoic acid
CID 57008274
(2R)-2-amino-3-(4-hydroxy-2-nitrophenyl)propanoic acid
CID 134160007
(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-(4-hydroxyphenyl)propanoic acid;hydrazine
CID 22117080
(2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid;azane
CID 87217970
L-Tyrosine (disodium)
CID 66602062
2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrate
CID 66692874

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[4-hydroxy-2-(4-hydroxyphenyl)phenyl]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[4-hydroxy-2-(4-hydroxyphenyl)phenyl]propanoic acid (CID 152754952) is (2S)-2-amino-3-[4-hydroxy-2-(4-hydroxyphenyl)phenyl]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[4-hydroxy-2-(4-hydroxyphenyl)phenyl]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[4-hydroxy-2-(4-hydroxyphenyl)phenyl]propanoic acid is N[C@@H](Cc1ccc(O)cc1-c1ccc(O)cc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-[4-hydroxy-2-(4-hydroxyphenyl)phenyl]propanoic acid?
The InChIKey is WWXXPNVELRGKRK-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H15NO4/c16-14(15(19)20)7-10-3-6-12(18)8-13(10)9-1-4-11(17)5-2-9/h1-6,8,14,17-18H,7,16H2,(H,19,20)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-3-[4-hydroxy-2-(4-hydroxyphenyl)phenyl]propanoic acid?
(2S)-2-amino-3-[4-hydroxy-2-(4-hydroxyphenyl)phenyl]propanoic acid has a molecular weight of 273.29 g/mol, XLogP of 1.72, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[4-hydroxy-2-(4-hydroxyphenyl)phenyl]propanoic acid is sourced from PubChem (CID 152754952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).