(2Z)-2-hydroxyiminobutanoic acid

C4H7NO3 — CID 6418364

IUPAC(2Z)-2-hydroxyiminobutanoic acid
SMILESCC/C(=N/O)C(=O)O
InChIInChI=1S/C4H7NO3/c1-2-3(5-8)4(6)7/h8H,2H2,1H3,(H,6,7)/b5-3-
InChIKeyALSXSMFPNNAYPI-HYXAFXHYSA-N
MW117.10 g/mol
LogP0.31
Rot. Bonds2

About (2Z)-2-hydroxyiminobutanoic acid

(2Z)-2-hydroxyiminobutanoic acid (PubChem CID 6418364) has the molecular formula C4H7NO3 and a molecular weight of 117.10 g/mol. Its IUPAC name is (2Z)-2-hydroxyiminobutanoic acid.

Molecular Properties

Compound Name(2Z)-2-hydroxyiminobutanoic acid
PubChem CID6418364
Molecular FormulaC4H7NO3
Molecular Weight117.10 g/mol
Exact Mass117.04
IUPAC Name(2Z)-2-hydroxyiminobutanoic acid
SMILESCC/C(=N/O)C(=O)O
InChIInChI=1S/C4H7NO3/c1-2-3(5-8)4(6)7/h8H,2H2,1H3,(H,6,7)/b5-3-
InChIKeyALSXSMFPNNAYPI-HYXAFXHYSA-N
XLogP0.31
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.10
LogP ≤ 50.31
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

Pyruvic oxime
CID 6419427
4,5-Dihydro-1,2-oxazole-3-carboxylic acid
CID 642418
2-Iminobutanoic acid
CID 18454345
4-(Hydroxyimino)pentanoic acid
CID 81373
4-(Hydroxyimino)valeric acid
CID 5354662
3-methylisoxazol-5(4H)-one
CID 535031
2-Hydroxyiminopropanoic acid
CID 6398959
(E)-2-(methoxyimino)-3-methylbutanoic acid
CID 13908931
(4Z)-4-hydroxyiminopentanoic acid
CID 5483495
(2Z)-2-hydroxyiminopropanoic acid
CID 6400629
(2E)-2-oxidoiminopropanoic acid
CID 54740342
(2Z)-2-oxidoiminopropanoic acid
CID 54750750

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-hydroxyiminobutanoic acid?
The IUPAC name of (2Z)-2-hydroxyiminobutanoic acid (CID 6418364) is (2Z)-2-hydroxyiminobutanoic acid.
What is the SMILES notation for (2Z)-2-hydroxyiminobutanoic acid?
The canonical SMILES for (2Z)-2-hydroxyiminobutanoic acid is CC/C(=N/O)C(=O)O.
What is the InChIKey of (2Z)-2-hydroxyiminobutanoic acid?
The InChIKey is ALSXSMFPNNAYPI-HYXAFXHYSA-N. The full InChI is InChI=1S/C4H7NO3/c1-2-3(5-8)4(6)7/h8H,2H2,1H3,(H,6,7)/b5-3-.
What are the key properties of (2Z)-2-hydroxyiminobutanoic acid?
(2Z)-2-hydroxyiminobutanoic acid has a molecular weight of 117.10 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-hydroxyiminobutanoic acid is sourced from PubChem (CID 6418364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).