N'-hydroxy-2-(9-hydroxy-6-oxa-2-azaspiro[4.5]decan-2-yl)ethanimidamide

C10H19N3O3 — CID 121203782

IUPACN'-hydroxy-2-(9-hydroxy-6-oxa-2-azaspiro[4.5]decan-2-yl)ethanimidamide
SMILESN/C(CN1CCC2(CC(O)CCO2)C1)=N\O
InChIInChI=1S/C10H19N3O3/c11-9(12-15)6-13-3-2-10(7-13)5-8(14)1-4-16-10/h8,14-15H,1-7H2,(H2,11,12)
InChIKeyPAGWCDVKQRYVNB-UHFFFAOYSA-N
MW229.28 g/mol
LogP-0.65
Rot. Bonds2

About N'-hydroxy-2-(9-hydroxy-6-oxa-2-azaspiro[4.5]decan-2-yl)ethanimidamide

N'-hydroxy-2-(9-hydroxy-6-oxa-2-azaspiro[4.5]decan-2-yl)ethanimidamide (PubChem CID 121203782) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is N'-hydroxy-2-(9-hydroxy-6-oxa-2-azaspiro[4.5]decan-2-yl)ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(9-hydroxy-6-oxa-2-azaspiro[4.5]decan-2-yl)ethanimidamide
PubChem CID121203782
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC NameN'-hydroxy-2-(9-hydroxy-6-oxa-2-azaspiro[4.5]decan-2-yl)ethanimidamide
SMILESN/C(CN1CCC2(CC(O)CCO2)C1)=N\O
InChIInChI=1S/C10H19N3O3/c11-9(12-15)6-13-3-2-10(7-13)5-8(14)1-4-16-10/h8,14-15H,1-7H2,(H2,11,12)
InChIKeyPAGWCDVKQRYVNB-UHFFFAOYSA-N
XLogP-0.65
TPSA91.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 N'-hydroxy-2-(9-hydroxy-6-oxa-2-azaspiro[4.5]decan-2-yl)ethanimidamide?
The IUPAC name of N'-hydroxy-2-(9-hydroxy-6-oxa-2-azaspiro[4.5]decan-2-yl)ethanimidamide (CID 121203782) is N'-hydroxy-2-(9-hydroxy-6-oxa-2-azaspiro[4.5]decan-2-yl)ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-(9-hydroxy-6-oxa-2-azaspiro[4.5]decan-2-yl)ethanimidamide?
The canonical SMILES for N'-hydroxy-2-(9-hydroxy-6-oxa-2-azaspiro[4.5]decan-2-yl)ethanimidamide is N/C(CN1CCC2(CC(O)CCO2)C1)=N\O.
What is the InChIKey of N'-hydroxy-2-(9-hydroxy-6-oxa-2-azaspiro[4.5]decan-2-yl)ethanimidamide?
The InChIKey is PAGWCDVKQRYVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c11-9(12-15)6-13-3-2-10(7-13)5-8(14)1-4-16-10/h8,14-15H,1-7H2,(H2,11,12).
What are the key properties of N'-hydroxy-2-(9-hydroxy-6-oxa-2-azaspiro[4.5]decan-2-yl)ethanimidamide?
N'-hydroxy-2-(9-hydroxy-6-oxa-2-azaspiro[4.5]decan-2-yl)ethanimidamide has a molecular weight of 229.28 g/mol, XLogP of -0.65, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(9-hydroxy-6-oxa-2-azaspiro[4.5]decan-2-yl)ethanimidamide is sourced from PubChem (CID 121203782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).