3-hydroxy-8-oxa-2-azaspiro[4.5]decane-2-carboxylic acid

C9H15NO4 — CID 175780735

IUPAC3-hydroxy-8-oxa-2-azaspiro[4.5]decane-2-carboxylic acid
SMILESO=C(O)N1CC2(CCOCC2)CC1O
InChIInChI=1S/C9H15NO4/c11-7-5-9(1-3-14-4-2-9)6-10(7)8(12)13/h7,11H,1-6H2,(H,12,13)
InChIKeyHPYSICQPVSFJEO-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.49
Rot. Bonds

About 3-hydroxy-8-oxa-2-azaspiro[4.5]decane-2-carboxylic acid

3-hydroxy-8-oxa-2-azaspiro[4.5]decane-2-carboxylic acid (PubChem CID 175780735) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 3-hydroxy-8-oxa-2-azaspiro[4.5]decane-2-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-8-oxa-2-azaspiro[4.5]decane-2-carboxylic acid
PubChem CID175780735
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name3-hydroxy-8-oxa-2-azaspiro[4.5]decane-2-carboxylic acid
SMILESO=C(O)N1CC2(CCOCC2)CC1O
InChIInChI=1S/C9H15NO4/c11-7-5-9(1-3-14-4-2-9)6-10(7)8(12)13/h7,11H,1-6H2,(H,12,13)
InChIKeyHPYSICQPVSFJEO-UHFFFAOYSA-N
XLogP0.49
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-8-oxa-2-azaspiro[4.5]decane-2-carboxylic acid?
The IUPAC name of 3-hydroxy-8-oxa-2-azaspiro[4.5]decane-2-carboxylic acid (CID 175780735) is 3-hydroxy-8-oxa-2-azaspiro[4.5]decane-2-carboxylic acid.
What is the SMILES notation for 3-hydroxy-8-oxa-2-azaspiro[4.5]decane-2-carboxylic acid?
The canonical SMILES for 3-hydroxy-8-oxa-2-azaspiro[4.5]decane-2-carboxylic acid is O=C(O)N1CC2(CCOCC2)CC1O.
What is the InChIKey of 3-hydroxy-8-oxa-2-azaspiro[4.5]decane-2-carboxylic acid?
The InChIKey is HPYSICQPVSFJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c11-7-5-9(1-3-14-4-2-9)6-10(7)8(12)13/h7,11H,1-6H2,(H,12,13).
What are the key properties of 3-hydroxy-8-oxa-2-azaspiro[4.5]decane-2-carboxylic acid?
3-hydroxy-8-oxa-2-azaspiro[4.5]decane-2-carboxylic acid has a molecular weight of 201.22 g/mol, XLogP of 0.49, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-8-oxa-2-azaspiro[4.5]decane-2-carboxylic acid is sourced from PubChem (CID 175780735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).