(2E)-2-butoxyiminoacetic acid

C6H11NO3 — CID 88725483

IUPAC(2E)-2-butoxyiminoacetic acid
SMILESCCCCO/N=C/C(=O)O
InChIInChI=1S/C6H11NO3/c1-2-3-4-10-7-5-6(8)9/h5H,2-4H2,1H3,(H,8,9)/b7-5+
InChIKeyYDNSVOJSLVWGEO-FNORWQNLSA-N
MW145.16 g/mol
LogP0.87
Rot. Bonds5

About (2E)-2-butoxyiminoacetic acid

(2E)-2-butoxyiminoacetic acid (PubChem CID 88725483) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is (2E)-2-butoxyiminoacetic acid.

Molecular Properties

Compound Name(2E)-2-butoxyiminoacetic acid
PubChem CID88725483
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name(2E)-2-butoxyiminoacetic acid
SMILESCCCCO/N=C/C(=O)O
InChIInChI=1S/C6H11NO3/c1-2-3-4-10-7-5-6(8)9/h5H,2-4H2,1H3,(H,8,9)/b7-5+
InChIKeyYDNSVOJSLVWGEO-FNORWQNLSA-N
XLogP0.87
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2E)-2-butoxyiminoacetic 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

trans-(1R,3S)-3-(butoxyiminomethyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 88738359
(1E)-1-butoxyiminopropan-2-amine
CID 58684780
(E)-N,N'-dipentoxyethane-1,2-diimine
CID 118112396
(E)-N-butoxy-2-chloroethanimine
CID 18926175
(E)-N,N'-dihexoxyethane-1,2-diimine
CID 174854419
calcium;butyl hydrogen carbonate;hydride
CID 173385932
2-tetradecyliminoacetic acid
CID 88692071
sulfanyl (1E)-N-butoxymethanimidothioate
CID 137490278
(Z)-4-butoxy-4-oxobut-2-enoic acid
CID 175730618
2-(1-heptylcyclopentyl)oxyiminoacetic acid
CID 57050934
acetic acid;1-butoxybutane
CID 22256220
butyl hydrogen carbonate
CID 157271096

Frequently Asked Questions

What is the IUPAC name of (2E)-2-butoxyiminoacetic acid?
The IUPAC name of (2E)-2-butoxyiminoacetic acid (CID 88725483) is (2E)-2-butoxyiminoacetic acid.
What is the SMILES notation for (2E)-2-butoxyiminoacetic acid?
The canonical SMILES for (2E)-2-butoxyiminoacetic acid is CCCCO/N=C/C(=O)O.
What is the InChIKey of (2E)-2-butoxyiminoacetic acid?
The InChIKey is YDNSVOJSLVWGEO-FNORWQNLSA-N. The full InChI is InChI=1S/C6H11NO3/c1-2-3-4-10-7-5-6(8)9/h5H,2-4H2,1H3,(H,8,9)/b7-5+.
What are the key properties of (2E)-2-butoxyiminoacetic acid?
(2E)-2-butoxyiminoacetic acid has a molecular weight of 145.16 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-butoxyiminoacetic acid is sourced from PubChem (CID 88725483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).