2-(cyclohexylamino)-2-oxoacetic acid

C8H13NO3 — CID 6994051

IUPAC2-(cyclohexylamino)-2-oxoacetic acid
SMILESO=C(O)C(=O)NC1CCCCC1
InChIInChI=1S/C8H13NO3/c10-7(8(11)12)9-6-4-2-1-3-5-6/h6H,1-5H2,(H,9,10)(H,11,12)
InChIKeyJXKXKOUBASQQOF-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.52
Rot. Bonds1

About 2-(cyclohexylamino)-2-oxoacetic acid

2-(cyclohexylamino)-2-oxoacetic acid (PubChem CID 6994051) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 2-(cyclohexylamino)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(cyclohexylamino)-2-oxoacetic acid
PubChem CID6994051
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name2-(cyclohexylamino)-2-oxoacetic acid
SMILESO=C(O)C(=O)NC1CCCCC1
InChIInChI=1S/C8H13NO3/c10-7(8(11)12)9-6-4-2-1-3-5-6/h6H,1-5H2,(H,9,10)(H,11,12)
InChIKeyJXKXKOUBASQQOF-UHFFFAOYSA-N
XLogP0.52
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-(cyclohexylamino)-2-oxoacetic acid?
The IUPAC name of 2-(cyclohexylamino)-2-oxoacetic acid (CID 6994051) is 2-(cyclohexylamino)-2-oxoacetic acid.
What is the SMILES notation for 2-(cyclohexylamino)-2-oxoacetic acid?
The canonical SMILES for 2-(cyclohexylamino)-2-oxoacetic acid is O=C(O)C(=O)NC1CCCCC1.
What is the InChIKey of 2-(cyclohexylamino)-2-oxoacetic acid?
The InChIKey is JXKXKOUBASQQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c10-7(8(11)12)9-6-4-2-1-3-5-6/h6H,1-5H2,(H,9,10)(H,11,12).
What are the key properties of 2-(cyclohexylamino)-2-oxoacetic acid?
2-(cyclohexylamino)-2-oxoacetic acid has a molecular weight of 171.20 g/mol, XLogP of 0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-2-oxoacetic acid is sourced from PubChem (CID 6994051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).