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

C6H11NO3 — CID 55303069

IUPAC(3E)-3-hydroxyimino-2,2-dimethylbutanoic acid
SMILESC/C(=N\O)C(C)(C)C(=O)O
InChIInChI=1S/C6H11NO3/c1-4(7-10)6(2,3)5(8)9/h10H,1-3H3,(H,8,9)/b7-4+
InChIKeyAMQXWYMGLASODJ-QPJJXVBHSA-N
MW145.16 g/mol
LogP0.95
Rot. Bonds2

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

(3E)-3-hydroxyimino-2,2-dimethylbutanoic acid (PubChem CID 55303069) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is (3E)-3-hydroxyimino-2,2-dimethylbutanoic acid.

Molecular Properties

Compound Name(3E)-3-hydroxyimino-2,2-dimethylbutanoic acid
PubChem CID55303069
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name(3E)-3-hydroxyimino-2,2-dimethylbutanoic acid
SMILESC/C(=N\O)C(C)(C)C(=O)O
InChIInChI=1S/C6H11NO3/c1-4(7-10)6(2,3)5(8)9/h10H,1-3H3,(H,8,9)/b7-4+
InChIKeyAMQXWYMGLASODJ-QPJJXVBHSA-N
XLogP0.95
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of (3E)-3-hydroxyimino-2,2-dimethylbutanoic acid?
The IUPAC name of (3E)-3-hydroxyimino-2,2-dimethylbutanoic acid (CID 55303069) is (3E)-3-hydroxyimino-2,2-dimethylbutanoic acid.
What is the SMILES notation for (3E)-3-hydroxyimino-2,2-dimethylbutanoic acid?
The canonical SMILES for (3E)-3-hydroxyimino-2,2-dimethylbutanoic acid is C/C(=N\O)C(C)(C)C(=O)O.
What is the InChIKey of (3E)-3-hydroxyimino-2,2-dimethylbutanoic acid?
The InChIKey is AMQXWYMGLASODJ-QPJJXVBHSA-N. The full InChI is InChI=1S/C6H11NO3/c1-4(7-10)6(2,3)5(8)9/h10H,1-3H3,(H,8,9)/b7-4+.
What are the key properties of (3E)-3-hydroxyimino-2,2-dimethylbutanoic acid?
(3E)-3-hydroxyimino-2,2-dimethylbutanoic acid has a molecular weight of 145.16 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-hydroxyimino-2,2-dimethylbutanoic acid is sourced from PubChem (CID 55303069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).