2-(2-phenoxypropyldiazenyl)propanoic acid

C12H16N2O3 — CID 57081409

IUPAC2-(2-phenoxypropyldiazenyl)propanoic acid
SMILESCC(C/N=N/C(C)C(=O)O)Oc1ccccc1
InChIInChI=1S/C12H16N2O3/c1-9(8-13-14-10(2)12(15)16)17-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,15,16)/b14-13+
InChIKeyXRJSLSDGSFSLMI-BUHFOSPRSA-N
MW236.27 g/mol
LogP2.38
Rot. Bonds6

About 2-(2-phenoxypropyldiazenyl)propanoic acid

2-(2-phenoxypropyldiazenyl)propanoic acid (PubChem CID 57081409) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-(2-phenoxypropyldiazenyl)propanoic acid.

Molecular Properties

Compound Name2-(2-phenoxypropyldiazenyl)propanoic acid
PubChem CID57081409
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-(2-phenoxypropyldiazenyl)propanoic acid
SMILESCC(C/N=N/C(C)C(=O)O)Oc1ccccc1
InChIInChI=1S/C12H16N2O3/c1-9(8-13-14-10(2)12(15)16)17-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,15,16)/b14-13+
InChIKeyXRJSLSDGSFSLMI-BUHFOSPRSA-N
XLogP2.38
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-phenoxypropyldiazenyl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenoxypropanoic acid;hydrofluoride
CID 161153787
benzene;ethane;2-phenoxypropan-1-ol
CID 145115512
4-chloro-2-methyl-4-phenoxybutanoic acid
CID 70522058
2-[2-(2-phenoxypropoxy)propoxy]propyl 2-methylpropanoate
CID 139884710
sodium;hydride;2-phenoxypropanoic acid
CID 174562261
N,N-dimethyl-2-phenoxypropan-1-amine
CID 15082323
potassium;hydride;2-phenoxypropanoic acid
CID 174805355
2-(2-phenoxypropyl)-1-phenylguanidine
CID 111179320
N,N-dimethyl-2-phenoxypropan-1-amine;hydrochloride
CID 117066903
2-(2-phenoxypropoxyimino)butanoic acid
CID 54384745
[(2R)-2-(4-phenoxyphenoxy)propyl] acetate
CID 10589281
N-ethyl-2-phenoxypropanamide
CID 4282518

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenoxypropyldiazenyl)propanoic acid?
The IUPAC name of 2-(2-phenoxypropyldiazenyl)propanoic acid (CID 57081409) is 2-(2-phenoxypropyldiazenyl)propanoic acid.
What is the SMILES notation for 2-(2-phenoxypropyldiazenyl)propanoic acid?
The canonical SMILES for 2-(2-phenoxypropyldiazenyl)propanoic acid is CC(C/N=N/C(C)C(=O)O)Oc1ccccc1.
What is the InChIKey of 2-(2-phenoxypropyldiazenyl)propanoic acid?
The InChIKey is XRJSLSDGSFSLMI-BUHFOSPRSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-9(8-13-14-10(2)12(15)16)17-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,15,16)/b14-13+.
What are the key properties of 2-(2-phenoxypropyldiazenyl)propanoic acid?
2-(2-phenoxypropyldiazenyl)propanoic acid has a molecular weight of 236.27 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenoxypropyldiazenyl)propanoic acid is sourced from PubChem (CID 57081409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).