(2S)-2-diazenyl-3-(4-hydroxyphenyl)propanoic acid

C9H10N2O3 — CID 23386502

IUPAC(2S)-2-diazenyl-3-(4-hydroxyphenyl)propanoic acid
SMILES[H]/N=N/[C@@H](Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C9H10N2O3/c10-11-8(9(13)14)5-6-1-3-7(12)4-2-6/h1-4,8,10,12H,5H2,(H,13,14)/b11-10+/t8-/m0/s1
InChIKeyUEIIIFHGSFAGIZ-PNLVODKCSA-N
MW194.19 g/mol
LogP1.42
Rot. Bonds4

About (2S)-2-diazenyl-3-(4-hydroxyphenyl)propanoic acid

(2S)-2-diazenyl-3-(4-hydroxyphenyl)propanoic acid (PubChem CID 23386502) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is (2S)-2-diazenyl-3-(4-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-diazenyl-3-(4-hydroxyphenyl)propanoic acid
PubChem CID23386502
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name(2S)-2-diazenyl-3-(4-hydroxyphenyl)propanoic acid
SMILES[H]/N=N/[C@@H](Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C9H10N2O3/c10-11-8(9(13)14)5-6-1-3-7(12)4-2-6/h1-4,8,10,12H,5H2,(H,13,14)/b11-10+/t8-/m0/s1
InChIKeyUEIIIFHGSFAGIZ-PNLVODKCSA-N
XLogP1.42
TPSA93.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

(2S)-3-(4-hydroxyphenyl)-2-thionitrosopropanoic acid
CID 54458262
3-(4-hydroxyphenyl)-2-isocyanatopropanoic acid
CID 88922667
(2S)-2-(benzhydrylideneamino)-3-(4-hydroxyphenyl)propanoic acid
CID 146628240
[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]-trimethylazanium
CID 6325589
2-[(1,3-dioxoinden-2-ylidene)amino]-3-(4-hydroxyphenyl)propanoic acid
CID 59819289
(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
L-Tyrosine (disodium)
CID 66602062
(2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid;azane
CID 87217970
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;sulfane
CID 161476497

Frequently Asked Questions

What is the IUPAC name of (2S)-2-diazenyl-3-(4-hydroxyphenyl)propanoic acid?
The IUPAC name of (2S)-2-diazenyl-3-(4-hydroxyphenyl)propanoic acid (CID 23386502) is (2S)-2-diazenyl-3-(4-hydroxyphenyl)propanoic acid.
What is the SMILES notation for (2S)-2-diazenyl-3-(4-hydroxyphenyl)propanoic acid?
The canonical SMILES for (2S)-2-diazenyl-3-(4-hydroxyphenyl)propanoic acid is [H]/N=N/[C@@H](Cc1ccc(O)cc1)C(=O)O.
What is the InChIKey of (2S)-2-diazenyl-3-(4-hydroxyphenyl)propanoic acid?
The InChIKey is UEIIIFHGSFAGIZ-PNLVODKCSA-N. The full InChI is InChI=1S/C9H10N2O3/c10-11-8(9(13)14)5-6-1-3-7(12)4-2-6/h1-4,8,10,12H,5H2,(H,13,14)/b11-10+/t8-/m0/s1.
What are the key properties of (2S)-2-diazenyl-3-(4-hydroxyphenyl)propanoic acid?
(2S)-2-diazenyl-3-(4-hydroxyphenyl)propanoic acid has a molecular weight of 194.19 g/mol, XLogP of 1.42, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-diazenyl-3-(4-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 23386502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).