(2Z)-2-hydroxyimino-3,3-dimethylbutanoic acid

C6H11NO3 — CID 15337895

IUPAC(2Z)-2-hydroxyimino-3,3-dimethylbutanoic acid
SMILESCC(C)(C)/C(=N/O)C(=O)O
InChIInChI=1S/C6H11NO3/c1-6(2,3)4(7-10)5(8)9/h10H,1-3H3,(H,8,9)/b7-4+
InChIKeyLGWPXUZUEZUQIA-QPJJXVBHSA-N
MW145.16 g/mol
LogP0.95
Rot. Bonds1

About (2Z)-2-hydroxyimino-3,3-dimethylbutanoic acid

(2Z)-2-hydroxyimino-3,3-dimethylbutanoic acid (PubChem CID 15337895) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is (2Z)-2-hydroxyimino-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2Z)-2-hydroxyimino-3,3-dimethylbutanoic acid
PubChem CID15337895
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name(2Z)-2-hydroxyimino-3,3-dimethylbutanoic acid
SMILESCC(C)(C)/C(=N/O)C(=O)O
InChIInChI=1S/C6H11NO3/c1-6(2,3)4(7-10)5(8)9/h10H,1-3H3,(H,8,9)/b7-4+
InChIKeyLGWPXUZUEZUQIA-QPJJXVBHSA-N
XLogP0.95
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

(E)-2-(methoxyimino)-3-methylbutanoic acid
CID 13908931
Butanoic acid, 2-(hydroxyimino)-
CID 6844451
2-Diazo-3,3-dimethylbutanoic acid
CID 54517949
3,4,4-Trimethyl-isoxazol-5(4H)-one
CID 534990
(3Z)-4-fluoro-3-hydroxyimino-2,2-dimethylbutanoic acid
CID 22769342
(3Z)-4,4-difluoro-3-hydroxyimino-2,2-dimethylbutanoic acid
CID 22769351
(2Z)-2-(hydroxyimino)butanoic acid
CID 6418364
(2E)-2-hydroxyiminobutanoic acid
CID 9614837
(2E)-2-hydroxyimino-3-methylbutanoic acid
CID 13012724
(2Z)-2-methoxyimino-3-methylbutanoic acid
CID 13908932
(2Z)-4-hydroxy-2-hydroxyimino-3,3-dimethylbutanoic acid
CID 19870836
(2Z)-2-hydroxyimino-3-methylbutanoic acid
CID 20401633

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-hydroxyimino-3,3-dimethylbutanoic acid?
The IUPAC name of (2Z)-2-hydroxyimino-3,3-dimethylbutanoic acid (CID 15337895) is (2Z)-2-hydroxyimino-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2Z)-2-hydroxyimino-3,3-dimethylbutanoic acid?
The canonical SMILES for (2Z)-2-hydroxyimino-3,3-dimethylbutanoic acid is CC(C)(C)/C(=N/O)C(=O)O.
What is the InChIKey of (2Z)-2-hydroxyimino-3,3-dimethylbutanoic acid?
The InChIKey is LGWPXUZUEZUQIA-QPJJXVBHSA-N. The full InChI is InChI=1S/C6H11NO3/c1-6(2,3)4(7-10)5(8)9/h10H,1-3H3,(H,8,9)/b7-4+.
What are the key properties of (2Z)-2-hydroxyimino-3,3-dimethylbutanoic acid?
(2Z)-2-hydroxyimino-3,3-dimethylbutanoic acid has a molecular weight of 145.16 g/mol, XLogP of 0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-hydroxyimino-3,3-dimethylbutanoic acid is sourced from PubChem (CID 15337895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).