methyl (4Z)-4-hydroxyimino-2,2-dimethylbutanoate

C7H13NO3 — CID 54026999

IUPACmethyl (4Z)-4-hydroxyimino-2,2-dimethylbutanoate
SMILESCOC(=O)C(C)(C)C/C=N\O
InChIInChI=1S/C7H13NO3/c1-7(2,4-5-8-10)6(9)11-3/h5,10H,4H2,1-3H3/b8-5-
InChIKeyLCWYEJOZNFSQHK-YVMONPNESA-N
MW159.19 g/mol
LogP1.04
Rot. Bonds3

About methyl (4Z)-4-hydroxyimino-2,2-dimethylbutanoate

methyl (4Z)-4-hydroxyimino-2,2-dimethylbutanoate (PubChem CID 54026999) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is methyl (4Z)-4-hydroxyimino-2,2-dimethylbutanoate.

Molecular Properties

Compound Namemethyl (4Z)-4-hydroxyimino-2,2-dimethylbutanoate
PubChem CID54026999
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Namemethyl (4Z)-4-hydroxyimino-2,2-dimethylbutanoate
SMILESCOC(=O)C(C)(C)C/C=N\O
InChIInChI=1S/C7H13NO3/c1-7(2,4-5-8-10)6(9)11-3/h5,10H,4H2,1-3H3/b8-5-
InChIKeyLCWYEJOZNFSQHK-YVMONPNESA-N
XLogP1.04
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-Fluoro-4-hydroxyimino-2,2-dimethylbutanoic acid
CID 173251878
ethyl (4E)-4-hydroxyiminobutanoate
CID 177553952
Methyl 2-(2-hydroxyiminoethyl)-2,3,3-trimethylbutanoate
CID 74025253
Methyl 2-ethyl-2-(2-hydroxyiminoethyl)-3-methylbutanoate
CID 74025254
Methyl 4-hydroxyiminobutanoate
CID 88465643
(3S,4E)-4-methoxyimino-3-methylbutanoic acid
CID 88961174
Methyl 2-methanimidoyl-2-methylbutanoate
CID 89502988
methyl (4E)-4-hydroxyimino-2,3-dimethylbutanoate
CID 121340079
ethyl (4E)-4-hydroxyimino-2-methylbutanoate
CID 138706398
Ethyl 4-hydroxyimino-2-methylbutanoate
CID 138748362
Ethyl 4-hydroxyiminobutanoate
CID 140242859
ethyl (2R,4E)-4-hydroxyimino-2-methylbutanoate
CID 141692623

Frequently Asked Questions

What is the IUPAC name of methyl (4Z)-4-hydroxyimino-2,2-dimethylbutanoate?
The IUPAC name of methyl (4Z)-4-hydroxyimino-2,2-dimethylbutanoate (CID 54026999) is methyl (4Z)-4-hydroxyimino-2,2-dimethylbutanoate.
What is the SMILES notation for methyl (4Z)-4-hydroxyimino-2,2-dimethylbutanoate?
The canonical SMILES for methyl (4Z)-4-hydroxyimino-2,2-dimethylbutanoate is COC(=O)C(C)(C)C/C=N\O.
What is the InChIKey of methyl (4Z)-4-hydroxyimino-2,2-dimethylbutanoate?
The InChIKey is LCWYEJOZNFSQHK-YVMONPNESA-N. The full InChI is InChI=1S/C7H13NO3/c1-7(2,4-5-8-10)6(9)11-3/h5,10H,4H2,1-3H3/b8-5-.
What are the key properties of methyl (4Z)-4-hydroxyimino-2,2-dimethylbutanoate?
methyl (4Z)-4-hydroxyimino-2,2-dimethylbutanoate has a molecular weight of 159.19 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4Z)-4-hydroxyimino-2,2-dimethylbutanoate is sourced from PubChem (CID 54026999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).