2,3-bis(methoxyimino)butanoic acid

C6H10N2O4 — CID 54102019

IUPAC2,3-bis(methoxyimino)butanoic acid
SMILESCON=C(C)C(=NOC)C(=O)O
InChIInChI=1S/C6H10N2O4/c1-4(7-11-2)5(6(9)10)8-12-3/h1-3H3,(H,9,10)
InChIKeyNBDPFQKUZIQRNS-UHFFFAOYSA-N
MW174.16 g/mol
LogP0.10
Rot. Bonds4

About 2,3-bis(methoxyimino)butanoic acid

2,3-bis(methoxyimino)butanoic acid (PubChem CID 54102019) has the molecular formula C6H10N2O4 and a molecular weight of 174.16 g/mol. Its IUPAC name is 2,3-bis(methoxyimino)butanoic acid.

Molecular Properties

Compound Name2,3-bis(methoxyimino)butanoic acid
PubChem CID54102019
Molecular FormulaC6H10N2O4
Molecular Weight174.16 g/mol
Exact Mass174.06
IUPAC Name2,3-bis(methoxyimino)butanoic acid
SMILESCON=C(C)C(=NOC)C(=O)O
InChIInChI=1S/C6H10N2O4/c1-4(7-11-2)5(6(9)10)8-12-3/h1-3H3,(H,9,10)
InChIKeyNBDPFQKUZIQRNS-UHFFFAOYSA-N
XLogP0.10
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2,3-bis(methoxyimino)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxyiminopropanoic acid;zinc
CID 174796491
3-amino-3-chloroimino-2-methoxyiminopropanoic acid
CID 71342726
2-methoxyimino-3-oxohexanoic acid
CID 57203459
2-methoxyimino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 54082963
bis(2-methoxyiminopropanoyloxy)indiganyl 2-methoxyiminopropanoate
CID 140789850
(NE)-N-[(3E)-3-methoxyiminobutan-2-ylidene]hydroxylamine
CID 135548751
methyl 2-[[2-[[3,4-bis(methoxyimino)pentan-2-ylideneamino]oxymethyl]phenyl]methoxyimino]propanoate
CID 139816164
(2E)-2-methoxyimino-N-methylpropanamide;methyl (2E)-2-methoxyiminopropanoate
CID 172959290
tert-butyl 2-methoxyimino-3-oxobutanoate
CID 54110352
tert-butyl (2Z)-2-methoxyimino-3-oxobutanoate
CID 6420338
2-[(2-methylpropan-2-yl)oxyimino]-3-oxobutanoic acid
CID 56624878
(2E)-2-cyclopropyl-2-methoxyiminoacetic acid
CID 174045839

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(methoxyimino)butanoic acid?
The IUPAC name of 2,3-bis(methoxyimino)butanoic acid (CID 54102019) is 2,3-bis(methoxyimino)butanoic acid.
What is the SMILES notation for 2,3-bis(methoxyimino)butanoic acid?
The canonical SMILES for 2,3-bis(methoxyimino)butanoic acid is CON=C(C)C(=NOC)C(=O)O.
What is the InChIKey of 2,3-bis(methoxyimino)butanoic acid?
The InChIKey is NBDPFQKUZIQRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O4/c1-4(7-11-2)5(6(9)10)8-12-3/h1-3H3,(H,9,10).
What are the key properties of 2,3-bis(methoxyimino)butanoic acid?
2,3-bis(methoxyimino)butanoic acid has a molecular weight of 174.16 g/mol, XLogP of 0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(methoxyimino)butanoic acid is sourced from PubChem (CID 54102019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).