2-(2-diazohydrazinyl)-3-(3,4-dihydroxyphenyl)propanoic acid

C9H10N4O4 — CID 19107651

IUPAC2-(2-diazohydrazinyl)-3-(3,4-dihydroxyphenyl)propanoic acid
SMILES[N-]=[N+]=NNC(Cc1ccc(O)c(O)c1)C(=O)O
InChIInChI=1S/C9H10N4O4/c10-12-13-11-6(9(16)17)3-5-1-2-7(14)8(15)4-5/h1-2,4,6,11,14-15H,3H2,(H,16,17)
InChIKeyJYOWLPAKNLVUII-UHFFFAOYSA-N
MW238.20 g/mol
LogP0.91
Rot. Bonds5

About 2-(2-diazohydrazinyl)-3-(3,4-dihydroxyphenyl)propanoic acid

2-(2-diazohydrazinyl)-3-(3,4-dihydroxyphenyl)propanoic acid (PubChem CID 19107651) has the molecular formula C9H10N4O4 and a molecular weight of 238.20 g/mol. Its IUPAC name is 2-(2-diazohydrazinyl)-3-(3,4-dihydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(2-diazohydrazinyl)-3-(3,4-dihydroxyphenyl)propanoic acid
PubChem CID19107651
Molecular FormulaC9H10N4O4
Molecular Weight238.20 g/mol
Exact Mass238.07
IUPAC Name2-(2-diazohydrazinyl)-3-(3,4-dihydroxyphenyl)propanoic acid
SMILES[N-]=[N+]=NNC(Cc1ccc(O)c(O)c1)C(=O)O
InChIInChI=1S/C9H10N4O4/c10-12-13-11-6(9(16)17)3-5-1-2-7(14)8(15)4-5/h1-2,4,6,11,14-15H,3H2,(H,16,17)
InChIKeyJYOWLPAKNLVUII-UHFFFAOYSA-N
XLogP0.91
TPSA138.55 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 50.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

(2S)-3-(3,4-dihydroxyphenyl)-2-(sulfamoylamino)propanoic acid
CID 104985718
(2S)-3-(3,4-dihydroxyphenyl)-2-(propan-2-ylamino)propanoic acid
CID 138712858
(2S)-3-(3,4-dihydroxyphenyl)-2-(ethylamino)propanoic acid
CID 154050999
3-(3,4-dihydroxyphenyl)-2-(hydroxymethylamino)propanoic acid;hydrochloride
CID 70443121
2-[[1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]carbamoyloxycarbonylamino]-3-(3,4-dihydroxyphenyl)propanoic acid
CID 175283276
3-(3,4-dihydroxyphenyl)-2-(2-methylpropanoylamino)propanoic acid
CID 61069314
2-(2-aminoethylcarbamoylamino)-3-(3,4-dihydroxyphenyl)propanoic acid
CID 61403134
3-(3,4-dihydroxyphenyl)-2-(ethylsulfonylamino)propanoic acid
CID 61069877
(2S)-2-[(1-aminocyclopropanecarbonyl)amino]-3-(3,4-dihydroxyphenyl)propanoic acid
CID 24738911
(2S)-3-(3,4-dihydroxyphenyl)-2-[(4-isothiocyanatophenyl)methylamino]propanoic acid
CID 175939377
(2S)-3-(3,4-dihydroxyphenyl)-2-[3-(4-hydroxyphenyl)propanoylamino]propanoic acid
CID 175272365
3-(3,4-dihydroxyphenyl)-2-(dimethylsulfamoylamino)propanoic acid
CID 3251990

Frequently Asked Questions

What is the IUPAC name of 2-(2-diazohydrazinyl)-3-(3,4-dihydroxyphenyl)propanoic acid?
The IUPAC name of 2-(2-diazohydrazinyl)-3-(3,4-dihydroxyphenyl)propanoic acid (CID 19107651) is 2-(2-diazohydrazinyl)-3-(3,4-dihydroxyphenyl)propanoic acid.
What is the SMILES notation for 2-(2-diazohydrazinyl)-3-(3,4-dihydroxyphenyl)propanoic acid?
The canonical SMILES for 2-(2-diazohydrazinyl)-3-(3,4-dihydroxyphenyl)propanoic acid is [N-]=[N+]=NNC(Cc1ccc(O)c(O)c1)C(=O)O.
What is the InChIKey of 2-(2-diazohydrazinyl)-3-(3,4-dihydroxyphenyl)propanoic acid?
The InChIKey is JYOWLPAKNLVUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O4/c10-12-13-11-6(9(16)17)3-5-1-2-7(14)8(15)4-5/h1-2,4,6,11,14-15H,3H2,(H,16,17).
What are the key properties of 2-(2-diazohydrazinyl)-3-(3,4-dihydroxyphenyl)propanoic acid?
2-(2-diazohydrazinyl)-3-(3,4-dihydroxyphenyl)propanoic acid has a molecular weight of 238.20 g/mol, XLogP of 0.91, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-diazohydrazinyl)-3-(3,4-dihydroxyphenyl)propanoic acid is sourced from PubChem (CID 19107651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).