2-(cyclohexylamino)oxy-2-oxoacetic acid

C8H13NO4 — CID 174869598

IUPAC2-(cyclohexylamino)oxy-2-oxoacetic acid
SMILESO=C(O)C(=O)ONC1CCCCC1
InChIInChI=1S/C8H13NO4/c10-7(11)8(12)13-9-6-4-2-1-3-5-6/h6,9H,1-5H2,(H,10,11)
InChIKeyILHGUJRNCLRGSF-UHFFFAOYSA-N
MW187.19 g/mol
LogP0.45
Rot. Bonds2

About 2-(cyclohexylamino)oxy-2-oxoacetic acid

2-(cyclohexylamino)oxy-2-oxoacetic acid (PubChem CID 174869598) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 2-(cyclohexylamino)oxy-2-oxoacetic acid.

Molecular Properties

Compound Name2-(cyclohexylamino)oxy-2-oxoacetic acid
PubChem CID174869598
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name2-(cyclohexylamino)oxy-2-oxoacetic acid
SMILESO=C(O)C(=O)ONC1CCCCC1
InChIInChI=1S/C8H13NO4/c10-7(11)8(12)13-9-6-4-2-1-3-5-6/h6,9H,1-5H2,(H,10,11)
InChIKeyILHGUJRNCLRGSF-UHFFFAOYSA-N
XLogP0.45
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(cyclopentylamino) hydrogen carbonate
CID 150964345
sodium;(cyclohexylamino) acetate;hydride
CID 174740785
(cyclohexylamino) 2-methylpent-2-enoate
CID 174632655
bis(cyclohexylamino) 3-methylidenepentanedioate
CID 154089481
(cyclohexylamino) 2,2-dimethylpropanoate;hydrate
CID 174795169
cycloheptylhydrazine;oxalic acid
CID 24838802
methyl N-cyclohexadecylcarbamate
CID 131977131
(cyclopentylamino) pentanoate
CID 175087443
CID 122385782
CID 122385782
propan-2-yl N-cyclooctylcarbamate
CID 116653938
(cyclohexylamino) dihydrogen phosphate
CID 154164438
cyclohexylcarbamic acid;hydrate
CID 172719994

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)oxy-2-oxoacetic acid?
The IUPAC name of 2-(cyclohexylamino)oxy-2-oxoacetic acid (CID 174869598) is 2-(cyclohexylamino)oxy-2-oxoacetic acid.
What is the SMILES notation for 2-(cyclohexylamino)oxy-2-oxoacetic acid?
The canonical SMILES for 2-(cyclohexylamino)oxy-2-oxoacetic acid is O=C(O)C(=O)ONC1CCCCC1.
What is the InChIKey of 2-(cyclohexylamino)oxy-2-oxoacetic acid?
The InChIKey is ILHGUJRNCLRGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c10-7(11)8(12)13-9-6-4-2-1-3-5-6/h6,9H,1-5H2,(H,10,11).
What are the key properties of 2-(cyclohexylamino)oxy-2-oxoacetic acid?
2-(cyclohexylamino)oxy-2-oxoacetic acid has a molecular weight of 187.19 g/mol, XLogP of 0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)oxy-2-oxoacetic acid is sourced from PubChem (CID 174869598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).