2,2-dimethyl-3-[(E)-2-methylpropoxyiminomethyl]cyclopropane-1-carboxylic acid

C11H19NO3 — CID 12926829

IUPAC2,2-dimethyl-3-[(E)-2-methylpropoxyiminomethyl]cyclopropane-1-carboxylic acid
SMILESCC(C)CO/N=C/C1C(C(=O)O)C1(C)C
InChIInChI=1S/C11H19NO3/c1-7(2)6-15-12-5-8-9(10(13)14)11(8,3)4/h5,7-9H,6H2,1-4H3,(H,13,14)/b12-5+
InChIKeyDRYYHCPKEDXXAR-LFYBBSHMSA-N
MW213.28 g/mol
LogP2.00
Rot. Bonds5

About 2,2-dimethyl-3-[(E)-2-methylpropoxyiminomethyl]cyclopropane-1-carboxylic acid

2,2-dimethyl-3-[(E)-2-methylpropoxyiminomethyl]cyclopropane-1-carboxylic acid (PubChem CID 12926829) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(E)-2-methylpropoxyiminomethyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[(E)-2-methylpropoxyiminomethyl]cyclopropane-1-carboxylic acid
PubChem CID12926829
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2,2-dimethyl-3-[(E)-2-methylpropoxyiminomethyl]cyclopropane-1-carboxylic acid
SMILESCC(C)CO/N=C/C1C(C(=O)O)C1(C)C
InChIInChI=1S/C11H19NO3/c1-7(2)6-15-12-5-8-9(10(13)14)11(8,3)4/h5,7-9H,6H2,1-4H3,(H,13,14)/b12-5+
InChIKeyDRYYHCPKEDXXAR-LFYBBSHMSA-N
XLogP2.00
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.00
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 2,2-dimethyl-3-[(E)-2-methylpropoxyiminomethyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2,2-dimethyl-3-[(E)-2-methylpropoxyiminomethyl]cyclopropane-1-carboxylic acid (CID 12926829) is 2,2-dimethyl-3-[(E)-2-methylpropoxyiminomethyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2,2-dimethyl-3-[(E)-2-methylpropoxyiminomethyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2,2-dimethyl-3-[(E)-2-methylpropoxyiminomethyl]cyclopropane-1-carboxylic acid is CC(C)CO/N=C/C1C(C(=O)O)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-[(E)-2-methylpropoxyiminomethyl]cyclopropane-1-carboxylic acid?
The InChIKey is DRYYHCPKEDXXAR-LFYBBSHMSA-N. The full InChI is InChI=1S/C11H19NO3/c1-7(2)6-15-12-5-8-9(10(13)14)11(8,3)4/h5,7-9H,6H2,1-4H3,(H,13,14)/b12-5+.
What are the key properties of 2,2-dimethyl-3-[(E)-2-methylpropoxyiminomethyl]cyclopropane-1-carboxylic acid?
2,2-dimethyl-3-[(E)-2-methylpropoxyiminomethyl]cyclopropane-1-carboxylic acid has a molecular weight of 213.28 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(E)-2-methylpropoxyiminomethyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 12926829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).