3-[(E)-hydroxyiminomethyl]-2,2-dimethylcyclopropane-1-carboxylic acid

C7H11NO3 — CID 12926903

IUPAC3-[(E)-hydroxyiminomethyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(/C=N/O)C1C(=O)O
InChIInChI=1S/C7H11NO3/c1-7(2)4(3-8-11)5(7)6(9)10/h3-5,11H,1-2H3,(H,9,10)/b8-3+
InChIKeyBAGLJZNYWNJMEH-FPYGCLRLSA-N
MW157.17 g/mol
LogP0.80
Rot. Bonds2

About 3-[(E)-hydroxyiminomethyl]-2,2-dimethylcyclopropane-1-carboxylic acid

3-[(E)-hydroxyiminomethyl]-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 12926903) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 3-[(E)-hydroxyiminomethyl]-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(E)-hydroxyiminomethyl]-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID12926903
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name3-[(E)-hydroxyiminomethyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(/C=N/O)C1C(=O)O
InChIInChI=1S/C7H11NO3/c1-7(2)4(3-8-11)5(7)6(9)10/h3-5,11H,1-2H3,(H,9,10)/b8-3+
InChIKeyBAGLJZNYWNJMEH-FPYGCLRLSA-N
XLogP0.80
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

(1R)-2,2-dimethyl-3-[(E)-trifluoromethoxyiminomethyl]cyclopropane-1-carboxylic acid
CID 88786056
trans-(1R,3S)-2,2-dimethyl-3-(trifluoromethoxyiminomethyl)cyclopropane-1-carboxylic acid
CID 88786057
(1R)-2,2-dimethyl-3-(trifluoromethoxyiminomethyl)cyclopropane-1-carboxylic acid
CID 173443843
methyl 3-[(E)-methoxyiminomethyl]-2,2-dimethylcyclopropane-1-carboxylate
CID 12040181
2,2-dimethyl-3-[(E)-2-methylpropoxyiminomethyl]cyclopropane-1-carboxylic acid
CID 12926829
3-[(E)-cyclopropylmethoxyiminomethyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 12926887
3-[(E)-methoxyiminomethyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 12926889
trans-(1R,3S)-3-[(E)-methoxyiminomethyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 12926890
3-[(E)-cyclobutylmethoxyiminomethyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 12928206
3-[(E)-ethoxyiminomethyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 19351659
3-[(E)-butan-2-yloxyiminomethyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 21162615
(1R,trans)-2,2-dimethyl-3-((cyclopropylmethoxyimino)methyl)cyclopropanecarboxylic acid
CID 53706710

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-hydroxyiminomethyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 3-[(E)-hydroxyiminomethyl]-2,2-dimethylcyclopropane-1-carboxylic acid (CID 12926903) is 3-[(E)-hydroxyiminomethyl]-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 3-[(E)-hydroxyiminomethyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 3-[(E)-hydroxyiminomethyl]-2,2-dimethylcyclopropane-1-carboxylic acid is CC1(C)C(/C=N/O)C1C(=O)O.
What is the InChIKey of 3-[(E)-hydroxyiminomethyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is BAGLJZNYWNJMEH-FPYGCLRLSA-N. The full InChI is InChI=1S/C7H11NO3/c1-7(2)4(3-8-11)5(7)6(9)10/h3-5,11H,1-2H3,(H,9,10)/b8-3+.
What are the key properties of 3-[(E)-hydroxyiminomethyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
3-[(E)-hydroxyiminomethyl]-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 157.17 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-hydroxyiminomethyl]-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 12926903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).