2-(hydroxyiminomethyl)-2-methylpropanedioic acid

C5H7NO5 — CID 154492390

IUPAC2-(hydroxyiminomethyl)-2-methylpropanedioic acid
SMILESCC(C=NO)(C(=O)O)C(=O)O
InChIInChI=1S/C5H7NO5/c1-5(2-6-11,3(7)8)4(9)10/h2,11H,1H3,(H,7,8)(H,9,10)
InChIKeyWOKFBEXPSFLHIE-UHFFFAOYSA-N
MW161.11 g/mol
LogP-0.38
Rot. Bonds3

About 2-(hydroxyiminomethyl)-2-methylpropanedioic acid

2-(hydroxyiminomethyl)-2-methylpropanedioic acid (PubChem CID 154492390) has the molecular formula C5H7NO5 and a molecular weight of 161.11 g/mol. Its IUPAC name is 2-(hydroxyiminomethyl)-2-methylpropanedioic acid.

Molecular Properties

Compound Name2-(hydroxyiminomethyl)-2-methylpropanedioic acid
PubChem CID154492390
Molecular FormulaC5H7NO5
Molecular Weight161.11 g/mol
Exact Mass161.03
IUPAC Name2-(hydroxyiminomethyl)-2-methylpropanedioic acid
SMILESCC(C=NO)(C(=O)O)C(=O)O
InChIInChI=1S/C5H7NO5/c1-5(2-6-11,3(7)8)4(9)10/h2,11H,1H3,(H,7,8)(H,9,10)
InChIKeyWOKFBEXPSFLHIE-UHFFFAOYSA-N
XLogP-0.38
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.11
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
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': 'oxime_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-(hydroxyiminomethyl)-2-methylpropanedioic acid?
The IUPAC name of 2-(hydroxyiminomethyl)-2-methylpropanedioic acid (CID 154492390) is 2-(hydroxyiminomethyl)-2-methylpropanedioic acid.
What is the SMILES notation for 2-(hydroxyiminomethyl)-2-methylpropanedioic acid?
The canonical SMILES for 2-(hydroxyiminomethyl)-2-methylpropanedioic acid is CC(C=NO)(C(=O)O)C(=O)O.
What is the InChIKey of 2-(hydroxyiminomethyl)-2-methylpropanedioic acid?
The InChIKey is WOKFBEXPSFLHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO5/c1-5(2-6-11,3(7)8)4(9)10/h2,11H,1H3,(H,7,8)(H,9,10).
What are the key properties of 2-(hydroxyiminomethyl)-2-methylpropanedioic acid?
2-(hydroxyiminomethyl)-2-methylpropanedioic acid has a molecular weight of 161.11 g/mol, XLogP of -0.38, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxyiminomethyl)-2-methylpropanedioic acid is sourced from PubChem (CID 154492390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).