cis-(1R,3R)-3-(butan-2-yloxyiminomethyl)-2,2-dimethylcyclopropane-1-carboxylic acid

C11H19NO3 — CID 88772166

IUPACcis-(1R,3R)-3-(butan-2-yloxyiminomethyl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCCC(C)ON=C[C@@H]1[C@@H](C(=O)O)C1(C)C
InChIInChI=1S/C11H19NO3/c1-5-7(2)15-12-6-8-9(10(13)14)11(8,3)4/h6-9H,5H2,1-4H3,(H,13,14)/t7?,8-,9+/m1/s1
InChIKeyYPOWSJYEKMYYGA-ASODMVGOSA-N
MW213.28 g/mol
LogP2.14
Rot. Bonds5

About cis-(1R,3R)-3-(butan-2-yloxyiminomethyl)-2,2-dimethylcyclopropane-1-carboxylic acid

cis-(1R,3R)-3-(butan-2-yloxyiminomethyl)-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 88772166) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is cis-(1R,3R)-3-(butan-2-yloxyiminomethyl)-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3R)-3-(butan-2-yloxyiminomethyl)-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID88772166
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namecis-(1R,3R)-3-(butan-2-yloxyiminomethyl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCCC(C)ON=C[C@@H]1[C@@H](C(=O)O)C1(C)C
InChIInChI=1S/C11H19NO3/c1-5-7(2)15-12-6-8-9(10(13)14)11(8,3)4/h6-9H,5H2,1-4H3,(H,13,14)/t7?,8-,9+/m1/s1
InChIKeyYPOWSJYEKMYYGA-ASODMVGOSA-N
XLogP2.14
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 ≤ 52.14
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 cis-(1R,3R)-3-(butan-2-yloxyiminomethyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,3R)-3-(butan-2-yloxyiminomethyl)-2,2-dimethylcyclopropane-1-carboxylic acid (CID 88772166) is cis-(1R,3R)-3-(butan-2-yloxyiminomethyl)-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3R)-3-(butan-2-yloxyiminomethyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3R)-3-(butan-2-yloxyiminomethyl)-2,2-dimethylcyclopropane-1-carboxylic acid is CCC(C)ON=C[C@@H]1[C@@H](C(=O)O)C1(C)C.
What is the InChIKey of cis-(1R,3R)-3-(butan-2-yloxyiminomethyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is YPOWSJYEKMYYGA-ASODMVGOSA-N. The full InChI is InChI=1S/C11H19NO3/c1-5-7(2)15-12-6-8-9(10(13)14)11(8,3)4/h6-9H,5H2,1-4H3,(H,13,14)/t7?,8-,9+/m1/s1.
What are the key properties of cis-(1R,3R)-3-(butan-2-yloxyiminomethyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
cis-(1R,3R)-3-(butan-2-yloxyiminomethyl)-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 213.28 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3R)-3-(butan-2-yloxyiminomethyl)-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 88772166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).