2-amino-3-[4-(ethyldiazenyl)phenyl]propanoic acid

C11H15N3O2 — CID 170656104

IUPAC2-amino-3-[4-(ethyldiazenyl)phenyl]propanoic acid
SMILESCC/N=N/c1ccc(CC(N)C(=O)O)cc1
InChIInChI=1S/C11H15N3O2/c1-2-13-14-9-5-3-8(4-6-9)7-10(12)11(15)16/h3-6,10H,2,7,12H2,1H3,(H,15,16)/b14-13+
InChIKeyXNRIFJDLWXWBJZ-BUHFOSPRSA-N
MW221.26 g/mol
LogP1.74
Rot. Bonds5

About 2-amino-3-[4-(ethyldiazenyl)phenyl]propanoic acid

2-amino-3-[4-(ethyldiazenyl)phenyl]propanoic acid (PubChem CID 170656104) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-amino-3-[4-(ethyldiazenyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[4-(ethyldiazenyl)phenyl]propanoic acid
PubChem CID170656104
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-amino-3-[4-(ethyldiazenyl)phenyl]propanoic acid
SMILESCC/N=N/c1ccc(CC(N)C(=O)O)cc1
InChIInChI=1S/C11H15N3O2/c1-2-13-14-9-5-3-8(4-6-9)7-10(12)11(15)16/h3-6,10H,2,7,12H2,1H3,(H,15,16)/b14-13+
InChIKeyXNRIFJDLWXWBJZ-BUHFOSPRSA-N
XLogP1.74
TPSA88.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.74
H-Bond Donors ≤ 52
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)-2-amino-3-(4-ethylphenyl)propanoic acid
CID 13406785
2-amino-3-[4-(benzhydryldiazenyl)phenyl]propanoic acid
CID 123906750
2-amino-3-(4-arsanylphenyl)propanoic acid
CID 173173215
2-amino-3-[4-(2-methylpropyl)phenyl]propanoic acid
CID 13406788
(2S)-2-amino-3-phenylpropanoic acid;ethanol
CID 129063061
2-amino-3-(4-methylphenyl)propanoic acid;hydrobromide
CID 172898206
(2S)-2-amino-3-(4-hydroxy(3,5-13C2)cyclohexa-1,3,5-trien-1-yl)propanoic acid
CID 162642143
(2R)-2-amino-3-[4-(aminomethyl)phenyl]propanoic acid
CID 7018015
(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-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane
CID 161384193
2-amino-3-phenylpropanoic acid;ethane
CID 91596942

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-(ethyldiazenyl)phenyl]propanoic acid?
The IUPAC name of 2-amino-3-[4-(ethyldiazenyl)phenyl]propanoic acid (CID 170656104) is 2-amino-3-[4-(ethyldiazenyl)phenyl]propanoic acid.
What is the SMILES notation for 2-amino-3-[4-(ethyldiazenyl)phenyl]propanoic acid?
The canonical SMILES for 2-amino-3-[4-(ethyldiazenyl)phenyl]propanoic acid is CC/N=N/c1ccc(CC(N)C(=O)O)cc1.
What is the InChIKey of 2-amino-3-[4-(ethyldiazenyl)phenyl]propanoic acid?
The InChIKey is XNRIFJDLWXWBJZ-BUHFOSPRSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-2-13-14-9-5-3-8(4-6-9)7-10(12)11(15)16/h3-6,10H,2,7,12H2,1H3,(H,15,16)/b14-13+.
What are the key properties of 2-amino-3-[4-(ethyldiazenyl)phenyl]propanoic acid?
2-amino-3-[4-(ethyldiazenyl)phenyl]propanoic acid has a molecular weight of 221.26 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-(ethyldiazenyl)phenyl]propanoic acid is sourced from PubChem (CID 170656104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).