(2E)-2-(2,2-dimethylpropoxyimino)propanoic acid

C8H15NO3 — CID 137333434

IUPAC(2E)-2-(2,2-dimethylpropoxyimino)propanoic acid
SMILESC/C(=N\OCC(C)(C)C)C(=O)O
InChIInChI=1S/C8H15NO3/c1-6(7(10)11)9-12-5-8(2,3)4/h5H2,1-4H3,(H,10,11)/b9-6+
InChIKeyBOJKJWBCKRODAA-RMKNXTFCSA-N
MW173.21 g/mol
LogP1.51
Rot. Bonds3

About (2E)-2-(2,2-dimethylpropoxyimino)propanoic acid

(2E)-2-(2,2-dimethylpropoxyimino)propanoic acid (PubChem CID 137333434) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is (2E)-2-(2,2-dimethylpropoxyimino)propanoic acid.

Molecular Properties

Compound Name(2E)-2-(2,2-dimethylpropoxyimino)propanoic acid
PubChem CID137333434
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name(2E)-2-(2,2-dimethylpropoxyimino)propanoic acid
SMILESC/C(=N\OCC(C)(C)C)C(=O)O
InChIInChI=1S/C8H15NO3/c1-6(7(10)11)9-12-5-8(2,3)4/h5H2,1-4H3,(H,10,11)/b9-6+
InChIKeyBOJKJWBCKRODAA-RMKNXTFCSA-N
XLogP1.51
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 (2E)-2-(2,2-dimethylpropoxyimino)propanoic acid?
The IUPAC name of (2E)-2-(2,2-dimethylpropoxyimino)propanoic acid (CID 137333434) is (2E)-2-(2,2-dimethylpropoxyimino)propanoic acid.
What is the SMILES notation for (2E)-2-(2,2-dimethylpropoxyimino)propanoic acid?
The canonical SMILES for (2E)-2-(2,2-dimethylpropoxyimino)propanoic acid is C/C(=N\OCC(C)(C)C)C(=O)O.
What is the InChIKey of (2E)-2-(2,2-dimethylpropoxyimino)propanoic acid?
The InChIKey is BOJKJWBCKRODAA-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H15NO3/c1-6(7(10)11)9-12-5-8(2,3)4/h5H2,1-4H3,(H,10,11)/b9-6+.
What are the key properties of (2E)-2-(2,2-dimethylpropoxyimino)propanoic acid?
(2E)-2-(2,2-dimethylpropoxyimino)propanoic acid has a molecular weight of 173.21 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(2,2-dimethylpropoxyimino)propanoic acid is sourced from PubChem (CID 137333434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).