2-[2-(diazomethyl)phenyl]propanedioic acid

C10H8N2O4 — CID 150188197

IUPAC2-[2-(diazomethyl)phenyl]propanedioic acid
SMILES[N-]=[N+]=Cc1ccccc1C(C(=O)O)C(=O)O
InChIInChI=1S/C10H8N2O4/c11-12-5-6-3-1-2-4-7(6)8(9(13)14)10(15)16/h1-5,8H,(H,13,14)(H,15,16)
InChIKeyFMWNQJWOUKYLGN-UHFFFAOYSA-N
MW220.18 g/mol
LogP0.59
Rot. Bonds4

About 2-[2-(diazomethyl)phenyl]propanedioic acid

2-[2-(diazomethyl)phenyl]propanedioic acid (PubChem CID 150188197) has the molecular formula C10H8N2O4 and a molecular weight of 220.18 g/mol. Its IUPAC name is 2-[2-(diazomethyl)phenyl]propanedioic acid.

Molecular Properties

Compound Name2-[2-(diazomethyl)phenyl]propanedioic acid
PubChem CID150188197
Molecular FormulaC10H8N2O4
Molecular Weight220.18 g/mol
Exact Mass220.05
IUPAC Name2-[2-(diazomethyl)phenyl]propanedioic acid
SMILES[N-]=[N+]=Cc1ccccc1C(C(=O)O)C(=O)O
InChIInChI=1S/C10H8N2O4/c11-12-5-6-3-1-2-4-7(6)8(9(13)14)10(15)16/h1-5,8H,(H,13,14)(H,15,16)
InChIKeyFMWNQJWOUKYLGN-UHFFFAOYSA-N
XLogP0.59
TPSA111.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', '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-[2-(dicarboxymethyl)phenyl]propanedioic acid
CID 141274260
2-(2-iodophenyl)propanedioic acid
CID 172796761
[4-(diazomethyl)phenyl]-phenylmethanone
CID 53231721
2-amino-2-(2-ethenylphenyl)acetic acid
CID 55283582
methyl (E)-2-benzyl-3-[2-(diazomethyl)phenyl]prop-2-enoate
CID 138982955
2-(2-nitrophenyl)propanedioic acid
CID 18413218
bis(diazomethylbenzene);hydrate
CID 21319266
2-phenylpropanedioic acid;dihydrochloride
CID 68766431
1-(diazomethyl)-2-(trideuteriomethyl)benzene
CID 12764493
2-[2-(dicarboxymethyl)-3-pyridinyl]propanedioic acid
CID 174277658
calcium;hydride;2-phenylpropanedioic acid
CID 174516330
methyl (Z)-2-azido-3-(2-propan-2-ylphenyl)prop-2-enoate
CID 155259038

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diazomethyl)phenyl]propanedioic acid?
The IUPAC name of 2-[2-(diazomethyl)phenyl]propanedioic acid (CID 150188197) is 2-[2-(diazomethyl)phenyl]propanedioic acid.
What is the SMILES notation for 2-[2-(diazomethyl)phenyl]propanedioic acid?
The canonical SMILES for 2-[2-(diazomethyl)phenyl]propanedioic acid is [N-]=[N+]=Cc1ccccc1C(C(=O)O)C(=O)O.
What is the InChIKey of 2-[2-(diazomethyl)phenyl]propanedioic acid?
The InChIKey is FMWNQJWOUKYLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4/c11-12-5-6-3-1-2-4-7(6)8(9(13)14)10(15)16/h1-5,8H,(H,13,14)(H,15,16).
What are the key properties of 2-[2-(diazomethyl)phenyl]propanedioic acid?
2-[2-(diazomethyl)phenyl]propanedioic acid has a molecular weight of 220.18 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diazomethyl)phenyl]propanedioic acid is sourced from PubChem (CID 150188197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).