2-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid

C9H15NO4 — CID 66665348

IUPAC2-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
SMILESO=C(O)N1CCC2(CCC(O)O2)CC1
InChIInChI=1S/C9H15NO4/c11-7-1-2-9(14-7)3-5-10(6-4-9)8(12)13/h7,11H,1-6H2,(H,12,13)
InChIKeyDNLNAANVTYUALY-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.63
Rot. Bonds

About 2-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid

2-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid (PubChem CID 66665348) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid.

Molecular Properties

Compound Name2-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
PubChem CID66665348
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
SMILESO=C(O)N1CCC2(CCC(O)O2)CC1
InChIInChI=1S/C9H15NO4/c11-7-1-2-9(14-7)3-5-10(6-4-9)8(12)13/h7,11H,1-6H2,(H,12,13)
InChIKeyDNLNAANVTYUALY-UHFFFAOYSA-N
XLogP0.63
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 ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid?
The IUPAC name of 2-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid (CID 66665348) is 2-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid.
What is the SMILES notation for 2-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid?
The canonical SMILES for 2-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid is O=C(O)N1CCC2(CCC(O)O2)CC1.
What is the InChIKey of 2-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid?
The InChIKey is DNLNAANVTYUALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c11-7-1-2-9(14-7)3-5-10(6-4-9)8(12)13/h7,11H,1-6H2,(H,12,13).
What are the key properties of 2-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid?
2-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid has a molecular weight of 201.22 g/mol, XLogP of 0.63, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid is sourced from PubChem (CID 66665348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).