(1R)-3-methoxyimino-2,2-dimethylcyclopropane-1-carboxylic acid

C7H11NO3 — CID 54062585

IUPAC(1R)-3-methoxyimino-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCON=C1[C@H](C(=O)O)C1(C)C
InChIInChI=1S/C7H11NO3/c1-7(2)4(6(9)10)5(7)8-11-3/h4H,1-3H3,(H,9,10)/t4-/m1/s1
InChIKeyMATWATSXMHCZSG-SCSAIBSYSA-N
MW157.17 g/mol
LogP0.73
Rot. Bonds2

About (1R)-3-methoxyimino-2,2-dimethylcyclopropane-1-carboxylic acid

(1R)-3-methoxyimino-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 54062585) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is (1R)-3-methoxyimino-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name(1R)-3-methoxyimino-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID54062585
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name(1R)-3-methoxyimino-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCON=C1[C@H](C(=O)O)C1(C)C
InChIInChI=1S/C7H11NO3/c1-7(2)4(6(9)10)5(7)8-11-3/h4H,1-3H3,(H,9,10)/t4-/m1/s1
InChIKeyMATWATSXMHCZSG-SCSAIBSYSA-N
XLogP0.73
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.73
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 (1R)-3-methoxyimino-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of (1R)-3-methoxyimino-2,2-dimethylcyclopropane-1-carboxylic acid (CID 54062585) is (1R)-3-methoxyimino-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for (1R)-3-methoxyimino-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for (1R)-3-methoxyimino-2,2-dimethylcyclopropane-1-carboxylic acid is CON=C1[C@H](C(=O)O)C1(C)C.
What is the InChIKey of (1R)-3-methoxyimino-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is MATWATSXMHCZSG-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-7(2)4(6(9)10)5(7)8-11-3/h4H,1-3H3,(H,9,10)/t4-/m1/s1.
What are the key properties of (1R)-3-methoxyimino-2,2-dimethylcyclopropane-1-carboxylic acid?
(1R)-3-methoxyimino-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 157.17 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-methoxyimino-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 54062585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).