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

C11H19NO3 — CID 88709106

IUPAC2,2-dimethyl-3-[(Z)-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-XGICHPGQSA-N
MW213.28 g/mol
LogP2.00
Rot. Bonds5

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

2,2-dimethyl-3-[(Z)-2-methylpropoxyiminomethyl]cyclopropane-1-carboxylic acid (PubChem CID 88709106) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(Z)-2-methylpropoxyiminomethyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[(Z)-2-methylpropoxyiminomethyl]cyclopropane-1-carboxylic acid
PubChem CID88709106
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2,2-dimethyl-3-[(Z)-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-XGICHPGQSA-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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Related Compounds

2,2-dimethyl-3-[(E)-2-methylpropoxyiminomethyl]cyclopropane-1-carboxylic acid
CID 12926829
trans-(1R,3S)-2,2-dimethyl-3-(2-methylpentoxyiminomethyl)cyclopropane-1-carboxylic acid
CID 173439114
cis-(1R,3R)-3-(butan-2-yloxyiminomethyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 88772166
trans-(1R,3S)-3-(butoxyiminomethyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 88738359
cis-(3-phenoxyphenyl)methyl (1R,3R)-2,2-dimethyl-3-(2-methylpropoxyiminomethyl)cyclopropane-1-carboxylate
CID 54261640
trans-(1R,3S)-3-(cyclobutyloxyiminomethyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 54219780
trans-(1R,3S)-2,2-dimethyl-3-[2-(2-methylpropoxyimino)propyl]cyclopropane-1-carboxylic acid
CID 88774928
trans-[cyano-(3-phenoxyphenyl)methyl] (1R,3S)-2,2-dimethyl-3-(2-methylpropoxyiminomethyl)cyclopropane-1-carboxylate
CID 54144306
cis-(1S,3S)-3-[(Z)-but-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 139891472
(1R)-3-[(E)-(4-chlorophenoxy)iminomethyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 88768914
2,2-dimethyl-3-[3-(1-oxopropan-2-yloxy)prop-1-enyl]cyclopropane-1-carboxylic acid
CID 173425854
trans-(1S,3R)-3-[(Z)-2-carboxyethenyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 70394950

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(Z)-2-methylpropoxyiminomethyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2,2-dimethyl-3-[(Z)-2-methylpropoxyiminomethyl]cyclopropane-1-carboxylic acid (CID 88709106) is 2,2-dimethyl-3-[(Z)-2-methylpropoxyiminomethyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2,2-dimethyl-3-[(Z)-2-methylpropoxyiminomethyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2,2-dimethyl-3-[(Z)-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-[(Z)-2-methylpropoxyiminomethyl]cyclopropane-1-carboxylic acid?
The InChIKey is DRYYHCPKEDXXAR-XGICHPGQSA-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-[(Z)-2-methylpropoxyiminomethyl]cyclopropane-1-carboxylic acid?
2,2-dimethyl-3-[(Z)-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-[(Z)-2-methylpropoxyiminomethyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 88709106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).