2-methoxyiminopropanedioic acid

C4H5NO5 — CID 19864920

IUPAC2-methoxyiminopropanedioic acid
SMILESCON=C(C(=O)O)C(=O)O
InChIInChI=1S/C4H5NO5/c1-10-5-2(3(6)7)4(8)9/h1H3,(H,6,7)(H,8,9)
InChIKeyDHLOFJCHYOCRPR-UHFFFAOYSA-N
MW147.09 g/mol
LogP-0.84
Rot. Bonds3

About 2-methoxyiminopropanedioic acid

2-methoxyiminopropanedioic acid (PubChem CID 19864920) has the molecular formula C4H5NO5 and a molecular weight of 147.09 g/mol. Its IUPAC name is 2-methoxyiminopropanedioic acid.

Molecular Properties

Compound Name2-methoxyiminopropanedioic acid
PubChem CID19864920
Molecular FormulaC4H5NO5
Molecular Weight147.09 g/mol
Exact Mass147.02
IUPAC Name2-methoxyiminopropanedioic acid
SMILESCON=C(C(=O)O)C(=O)O
InChIInChI=1S/C4H5NO5/c1-10-5-2(3(6)7)4(8)9/h1H3,(H,6,7)(H,8,9)
InChIKeyDHLOFJCHYOCRPR-UHFFFAOYSA-N
XLogP-0.84
TPSA96.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.09
LogP ≤ 5-0.84
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'}

Analyze 2-methoxyiminopropanedioic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxyiminopropanedioic acid?
The IUPAC name of 2-methoxyiminopropanedioic acid (CID 19864920) is 2-methoxyiminopropanedioic acid.
What is the SMILES notation for 2-methoxyiminopropanedioic acid?
The canonical SMILES for 2-methoxyiminopropanedioic acid is CON=C(C(=O)O)C(=O)O.
What is the InChIKey of 2-methoxyiminopropanedioic acid?
The InChIKey is DHLOFJCHYOCRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO5/c1-10-5-2(3(6)7)4(8)9/h1H3,(H,6,7)(H,8,9).
What are the key properties of 2-methoxyiminopropanedioic acid?
2-methoxyiminopropanedioic acid has a molecular weight of 147.09 g/mol, XLogP of -0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyiminopropanedioic acid is sourced from PubChem (CID 19864920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).