(hydroxyamino) cyclohexanecarboxylate

C7H13NO3 — CID 149013635

IUPAC(hydroxyamino) cyclohexanecarboxylate
SMILESO=C(ONO)C1CCCCC1
InChIInChI=1S/C7H13NO3/c9-7(11-8-10)6-4-2-1-3-5-6/h6,8,10H,1-5H2
InChIKeyQCCSIPQGQSSQBP-UHFFFAOYSA-N
MW159.18 g/mol
LogP1.00
Rot. Bonds2

About (hydroxyamino) cyclohexanecarboxylate

(hydroxyamino) cyclohexanecarboxylate (PubChem CID 149013635) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is (hydroxyamino) cyclohexanecarboxylate.

Molecular Properties

Compound Name(hydroxyamino) cyclohexanecarboxylate
PubChem CID149013635
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name(hydroxyamino) cyclohexanecarboxylate
SMILESO=C(ONO)C1CCCCC1
InChIInChI=1S/C7H13NO3/c9-7(11-8-10)6-4-2-1-3-5-6/h6,8,10H,1-5H2
InChIKeyQCCSIPQGQSSQBP-UHFFFAOYSA-N
XLogP1.00
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (hydroxyamino) cyclohexanecarboxylate?
The IUPAC name of (hydroxyamino) cyclohexanecarboxylate (CID 149013635) is (hydroxyamino) cyclohexanecarboxylate.
What is the SMILES notation for (hydroxyamino) cyclohexanecarboxylate?
The canonical SMILES for (hydroxyamino) cyclohexanecarboxylate is O=C(ONO)C1CCCCC1.
What is the InChIKey of (hydroxyamino) cyclohexanecarboxylate?
The InChIKey is QCCSIPQGQSSQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c9-7(11-8-10)6-4-2-1-3-5-6/h6,8,10H,1-5H2.
What are the key properties of (hydroxyamino) cyclohexanecarboxylate?
(hydroxyamino) cyclohexanecarboxylate has a molecular weight of 159.18 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (hydroxyamino) cyclohexanecarboxylate is sourced from PubChem (CID 149013635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).