potassium 2-(cyclohexylamino)-2-oxoacetate

C8H12KNO3 — CID 154723571

IUPACpotassium 2-(cyclohexylamino)-2-oxoacetate
SMILESO=C([O-])C(=O)NC1CCCCC1.[K+]
InChIInChI=1S/C8H13NO3.K/c10-7(8(11)12)9-6-4-2-1-3-5-6;/h6H,1-5H2,(H,9,10)(H,11,12);/q;+1/p-1
InChIKeySKVGQJLXWRTBDH-UHFFFAOYSA-M
MW209.29 g/mol
LogP-3.81
Rot. Bonds1

About potassium 2-(cyclohexylamino)-2-oxoacetate

potassium 2-(cyclohexylamino)-2-oxoacetate (PubChem CID 154723571) has the molecular formula C8H12KNO3 and a molecular weight of 209.29 g/mol. Its IUPAC name is potassium 2-(cyclohexylamino)-2-oxoacetate.

Molecular Properties

Compound Namepotassium 2-(cyclohexylamino)-2-oxoacetate
PubChem CID154723571
Molecular FormulaC8H12KNO3
Molecular Weight209.29 g/mol
Exact Mass209.05
IUPAC Namepotassium 2-(cyclohexylamino)-2-oxoacetate
SMILESO=C([O-])C(=O)NC1CCCCC1.[K+]
InChIInChI=1S/C8H13NO3.K/c10-7(8(11)12)9-6-4-2-1-3-5-6;/h6H,1-5H2,(H,9,10)(H,11,12);/q;+1/p-1
InChIKeySKVGQJLXWRTBDH-UHFFFAOYSA-M
XLogP-3.81
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 5-3.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium 2-(cyclohexylamino)-2-oxoacetate?
The IUPAC name of potassium 2-(cyclohexylamino)-2-oxoacetate (CID 154723571) is potassium 2-(cyclohexylamino)-2-oxoacetate.
What is the SMILES notation for potassium 2-(cyclohexylamino)-2-oxoacetate?
The canonical SMILES for potassium 2-(cyclohexylamino)-2-oxoacetate is O=C([O-])C(=O)NC1CCCCC1.[K+].
What is the InChIKey of potassium 2-(cyclohexylamino)-2-oxoacetate?
The InChIKey is SKVGQJLXWRTBDH-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H13NO3.K/c10-7(8(11)12)9-6-4-2-1-3-5-6;/h6H,1-5H2,(H,9,10)(H,11,12);/q;+1/p-1.
What are the key properties of potassium 2-(cyclohexylamino)-2-oxoacetate?
potassium 2-(cyclohexylamino)-2-oxoacetate has a molecular weight of 209.29 g/mol, XLogP of -3.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-(cyclohexylamino)-2-oxoacetate is sourced from PubChem (CID 154723571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).