(3Z)-3-hydroxyimino-1-oxa-9-azaspiro[5.5]undecane-9-carboxylic acid

C10H16N2O4 — CID 146302860

IUPAC(3Z)-3-hydroxyimino-1-oxa-9-azaspiro[5.5]undecane-9-carboxylic acid
SMILESO=C(O)N1CCC2(CC/C(=N/O)CO2)CC1
InChIInChI=1S/C10H16N2O4/c13-9(14)12-5-3-10(4-6-12)2-1-8(11-15)7-16-10/h15H,1-7H2,(H,13,14)/b11-8-
InChIKeySFODRRGONSLKHP-FLIBITNWSA-N
MW228.25 g/mol
LogP1.14
Rot. Bonds

About (3Z)-3-hydroxyimino-1-oxa-9-azaspiro[5.5]undecane-9-carboxylic acid

(3Z)-3-hydroxyimino-1-oxa-9-azaspiro[5.5]undecane-9-carboxylic acid (PubChem CID 146302860) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is (3Z)-3-hydroxyimino-1-oxa-9-azaspiro[5.5]undecane-9-carboxylic acid.

Molecular Properties

Compound Name(3Z)-3-hydroxyimino-1-oxa-9-azaspiro[5.5]undecane-9-carboxylic acid
PubChem CID146302860
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name(3Z)-3-hydroxyimino-1-oxa-9-azaspiro[5.5]undecane-9-carboxylic acid
SMILESO=C(O)N1CCC2(CC/C(=N/O)CO2)CC1
InChIInChI=1S/C10H16N2O4/c13-9(14)12-5-3-10(4-6-12)2-1-8(11-15)7-16-10/h15H,1-7H2,(H,13,14)/b11-8-
InChIKeySFODRRGONSLKHP-FLIBITNWSA-N
XLogP1.14
TPSA82.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (3Z)-3-hydroxyimino-1-oxa-9-azaspiro[5.5]undecane-9-carboxylic acid?
The IUPAC name of (3Z)-3-hydroxyimino-1-oxa-9-azaspiro[5.5]undecane-9-carboxylic acid (CID 146302860) is (3Z)-3-hydroxyimino-1-oxa-9-azaspiro[5.5]undecane-9-carboxylic acid.
What is the SMILES notation for (3Z)-3-hydroxyimino-1-oxa-9-azaspiro[5.5]undecane-9-carboxylic acid?
The canonical SMILES for (3Z)-3-hydroxyimino-1-oxa-9-azaspiro[5.5]undecane-9-carboxylic acid is O=C(O)N1CCC2(CC/C(=N/O)CO2)CC1.
What is the InChIKey of (3Z)-3-hydroxyimino-1-oxa-9-azaspiro[5.5]undecane-9-carboxylic acid?
The InChIKey is SFODRRGONSLKHP-FLIBITNWSA-N. The full InChI is InChI=1S/C10H16N2O4/c13-9(14)12-5-3-10(4-6-12)2-1-8(11-15)7-16-10/h15H,1-7H2,(H,13,14)/b11-8-.
What are the key properties of (3Z)-3-hydroxyimino-1-oxa-9-azaspiro[5.5]undecane-9-carboxylic acid?
(3Z)-3-hydroxyimino-1-oxa-9-azaspiro[5.5]undecane-9-carboxylic acid has a molecular weight of 228.25 g/mol, XLogP of 1.14, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-hydroxyimino-1-oxa-9-azaspiro[5.5]undecane-9-carboxylic acid is sourced from PubChem (CID 146302860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).