2-diazo-4-phenylbutanoic acid

C10H10N2O2 — CID 137093485

IUPAC2-diazo-4-phenylbutanoic acid
SMILES[N-]=[N+]=C(CCc1ccccc1)C(=O)O
InChIInChI=1S/C10H10N2O2/c11-12-9(10(13)14)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,13,14)
InChIKeyOOHUVYRBDVZSIE-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.37
Rot. Bonds4

About 2-diazo-4-phenylbutanoic acid

2-diazo-4-phenylbutanoic acid (PubChem CID 137093485) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2-diazo-4-phenylbutanoic acid.

Molecular Properties

Compound Name2-diazo-4-phenylbutanoic acid
PubChem CID137093485
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name2-diazo-4-phenylbutanoic acid
SMILES[N-]=[N+]=C(CCc1ccccc1)C(=O)O
InChIInChI=1S/C10H10N2O2/c11-12-9(10(13)14)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,13,14)
InChIKeyOOHUVYRBDVZSIE-UHFFFAOYSA-N
XLogP1.37
TPSA73.70 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-diazo-3-oxo-5-phenylpentanoic acid
CID 57109065
2-diazo-4-phenyl-1-[2-(2-phenylethynyl)phenyl]butan-1-one
CID 85207252
methyl 2-diazo-5-phenylpentanoate
CID 74317102
lanthanum;3-phenylpropanoic acid
CID 174887955
2,3-dioxo-5-phenylpentanoic acid
CID 54131380
3-[4-(2-phenylethyl)phenyl]propanoic acid
CID 54586982
benzyl 2-diazo-3-oxo-5-phenylpentanoate
CID 101341598
carbonic acid;3-phenylpropanamide
CID 174965682
3-phenylpropanoyl 3-phenylpropanoate
CID 13024780
1,9-diphenylnonan-5-one
CID 23467830
(3-diazo-3-dimethoxyphosphorylpropyl)benzene
CID 24975952
phenyl 2-diazo-3-phenylpropanoate
CID 175187797

Frequently Asked Questions

What is the IUPAC name of 2-diazo-4-phenylbutanoic acid?
The IUPAC name of 2-diazo-4-phenylbutanoic acid (CID 137093485) is 2-diazo-4-phenylbutanoic acid.
What is the SMILES notation for 2-diazo-4-phenylbutanoic acid?
The canonical SMILES for 2-diazo-4-phenylbutanoic acid is [N-]=[N+]=C(CCc1ccccc1)C(=O)O.
What is the InChIKey of 2-diazo-4-phenylbutanoic acid?
The InChIKey is OOHUVYRBDVZSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c11-12-9(10(13)14)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,13,14).
What are the key properties of 2-diazo-4-phenylbutanoic acid?
2-diazo-4-phenylbutanoic acid has a molecular weight of 190.20 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazo-4-phenylbutanoic acid is sourced from PubChem (CID 137093485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).