(3S)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid

C9H15NO4 — CID 68609344

IUPAC(3S)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
SMILESO=C(O)N1CCC2(CC1)C[C@H](O)CO2
InChIInChI=1S/C9H15NO4/c11-7-5-9(14-6-7)1-3-10(4-2-9)8(12)13/h7,11H,1-6H2,(H,12,13)/t7-/m0/s1
InChIKeyLVKDTFGIYQKPLK-ZETCQYMHSA-N
MW201.22 g/mol
LogP0.28
Rot. Bonds

About (3S)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid

(3S)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid (PubChem CID 68609344) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is (3S)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid.

Molecular Properties

Compound Name(3S)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
PubChem CID68609344
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name(3S)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
SMILESO=C(O)N1CCC2(CC1)C[C@H](O)CO2
InChIInChI=1S/C9H15NO4/c11-7-5-9(14-6-7)1-3-10(4-2-9)8(12)13/h7,11H,1-6H2,(H,12,13)/t7-/m0/s1
InChIKeyLVKDTFGIYQKPLK-ZETCQYMHSA-N
XLogP0.28
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 ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid?
The IUPAC name of (3S)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid (CID 68609344) is (3S)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid.
What is the SMILES notation for (3S)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid?
The canonical SMILES for (3S)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid is O=C(O)N1CCC2(CC1)C[C@H](O)CO2.
What is the InChIKey of (3S)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid?
The InChIKey is LVKDTFGIYQKPLK-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H15NO4/c11-7-5-9(14-6-7)1-3-10(4-2-9)8(12)13/h7,11H,1-6H2,(H,12,13)/t7-/m0/s1.
What are the key properties of (3S)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid?
(3S)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid has a molecular weight of 201.22 g/mol, XLogP of 0.28, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid is sourced from PubChem (CID 68609344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).