2-(4-hydroxyiminocyclohexyl)acetic acid

C8H13NO3 — CID 11240737

IUPAC2-(4-hydroxyiminocyclohexyl)acetic acid
SMILESO=C(O)CC1CCC(=NO)CC1
InChIInChI=1S/C8H13NO3/c10-8(11)5-6-1-3-7(9-12)4-2-6/h6,12H,1-5H2,(H,10,11)/b9-7-
InChIKeyKDAGEQDYGGYCMJ-CLFYSBASSA-N
MW171.20 g/mol
LogP1.48
Rot. Bonds2

About 2-(4-hydroxyiminocyclohexyl)acetic acid

2-(4-hydroxyiminocyclohexyl)acetic acid (PubChem CID 11240737) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 2-(4-hydroxyiminocyclohexyl)acetic acid.

Molecular Properties

Compound Name2-(4-hydroxyiminocyclohexyl)acetic acid
PubChem CID11240737
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name2-(4-hydroxyiminocyclohexyl)acetic acid
SMILESO=C(O)CC1CCC(=NO)CC1
InChIInChI=1S/C8H13NO3/c10-8(11)5-6-1-3-7(9-12)4-2-6/h6,12H,1-5H2,(H,10,11)/b9-7-
InChIKeyKDAGEQDYGGYCMJ-CLFYSBASSA-N
XLogP1.48
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyiminocyclohexyl)acetic acid?
The IUPAC name of 2-(4-hydroxyiminocyclohexyl)acetic acid (CID 11240737) is 2-(4-hydroxyiminocyclohexyl)acetic acid.
What is the SMILES notation for 2-(4-hydroxyiminocyclohexyl)acetic acid?
The canonical SMILES for 2-(4-hydroxyiminocyclohexyl)acetic acid is O=C(O)CC1CCC(=NO)CC1.
What is the InChIKey of 2-(4-hydroxyiminocyclohexyl)acetic acid?
The InChIKey is KDAGEQDYGGYCMJ-CLFYSBASSA-N. The full InChI is InChI=1S/C8H13NO3/c10-8(11)5-6-1-3-7(9-12)4-2-6/h6,12H,1-5H2,(H,10,11)/b9-7-.
What are the key properties of 2-(4-hydroxyiminocyclohexyl)acetic acid?
2-(4-hydroxyiminocyclohexyl)acetic acid has a molecular weight of 171.20 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyiminocyclohexyl)acetic acid is sourced from PubChem (CID 11240737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).