2-(dimethylcarbamoyloxyimino)acetic acid

C5H8N2O4 — CID 166865199

IUPAC2-(dimethylcarbamoyloxyimino)acetic acid
SMILESCN(C)C(=O)ON=CC(=O)O
InChIInChI=1S/C5H8N2O4/c1-7(2)5(10)11-6-3-4(8)9/h3H,1-2H3,(H,8,9)
InChIKeyCVRFMXOBGXMTAS-UHFFFAOYSA-N
MW160.13 g/mol
LogP-0.25
Rot. Bonds2

About 2-(dimethylcarbamoyloxyimino)acetic acid

2-(dimethylcarbamoyloxyimino)acetic acid (PubChem CID 166865199) has the molecular formula C5H8N2O4 and a molecular weight of 160.13 g/mol. Its IUPAC name is 2-(dimethylcarbamoyloxyimino)acetic acid.

Molecular Properties

Compound Name2-(dimethylcarbamoyloxyimino)acetic acid
PubChem CID166865199
Molecular FormulaC5H8N2O4
Molecular Weight160.13 g/mol
Exact Mass160.05
IUPAC Name2-(dimethylcarbamoyloxyimino)acetic acid
SMILESCN(C)C(=O)ON=CC(=O)O
InChIInChI=1S/C5H8N2O4/c1-7(2)5(10)11-6-3-4(8)9/h3H,1-2H3,(H,8,9)
InChIKeyCVRFMXOBGXMTAS-UHFFFAOYSA-N
XLogP-0.25
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.13
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', '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-(dimethylcarbamoyloxyimino)acetic acid?
The IUPAC name of 2-(dimethylcarbamoyloxyimino)acetic acid (CID 166865199) is 2-(dimethylcarbamoyloxyimino)acetic acid.
What is the SMILES notation for 2-(dimethylcarbamoyloxyimino)acetic acid?
The canonical SMILES for 2-(dimethylcarbamoyloxyimino)acetic acid is CN(C)C(=O)ON=CC(=O)O.
What is the InChIKey of 2-(dimethylcarbamoyloxyimino)acetic acid?
The InChIKey is CVRFMXOBGXMTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O4/c1-7(2)5(10)11-6-3-4(8)9/h3H,1-2H3,(H,8,9).
What are the key properties of 2-(dimethylcarbamoyloxyimino)acetic acid?
2-(dimethylcarbamoyloxyimino)acetic acid has a molecular weight of 160.13 g/mol, XLogP of -0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylcarbamoyloxyimino)acetic acid is sourced from PubChem (CID 166865199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).