2-[methyl(propanoyl)hydrazinylidene]propanedioic acid

C7H10N2O5 — CID 57442170

IUPAC2-[methyl(propanoyl)hydrazinylidene]propanedioic acid
SMILESCCC(=O)N(C)N=C(C(=O)O)C(=O)O
InChIInChI=1S/C7H10N2O5/c1-3-4(10)9(2)8-5(6(11)12)7(13)14/h3H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyDZYBRBQRQWNJHA-UHFFFAOYSA-N
MW202.17 g/mol
LogP-0.62
Rot. Bonds4

About 2-[methyl(propanoyl)hydrazinylidene]propanedioic acid

2-[methyl(propanoyl)hydrazinylidene]propanedioic acid (PubChem CID 57442170) has the molecular formula C7H10N2O5 and a molecular weight of 202.17 g/mol. Its IUPAC name is 2-[methyl(propanoyl)hydrazinylidene]propanedioic acid.

Molecular Properties

Compound Name2-[methyl(propanoyl)hydrazinylidene]propanedioic acid
PubChem CID57442170
Molecular FormulaC7H10N2O5
Molecular Weight202.17 g/mol
Exact Mass202.06
IUPAC Name2-[methyl(propanoyl)hydrazinylidene]propanedioic acid
SMILESCCC(=O)N(C)N=C(C(=O)O)C(=O)O
InChIInChI=1S/C7H10N2O5/c1-3-4(10)9(2)8-5(6(11)12)7(13)14/h3H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyDZYBRBQRQWNJHA-UHFFFAOYSA-N
XLogP-0.62
TPSA107.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(propanoyl)hydrazinylidene]propanedioic acid?
The IUPAC name of 2-[methyl(propanoyl)hydrazinylidene]propanedioic acid (CID 57442170) is 2-[methyl(propanoyl)hydrazinylidene]propanedioic acid.
What is the SMILES notation for 2-[methyl(propanoyl)hydrazinylidene]propanedioic acid?
The canonical SMILES for 2-[methyl(propanoyl)hydrazinylidene]propanedioic acid is CCC(=O)N(C)N=C(C(=O)O)C(=O)O.
What is the InChIKey of 2-[methyl(propanoyl)hydrazinylidene]propanedioic acid?
The InChIKey is DZYBRBQRQWNJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O5/c1-3-4(10)9(2)8-5(6(11)12)7(13)14/h3H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 2-[methyl(propanoyl)hydrazinylidene]propanedioic acid?
2-[methyl(propanoyl)hydrazinylidene]propanedioic acid has a molecular weight of 202.17 g/mol, XLogP of -0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(propanoyl)hydrazinylidene]propanedioic acid is sourced from PubChem (CID 57442170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).