8-(hydroxymethyl)-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid

C10H15NO4 — CID 19085075

IUPAC8-(hydroxymethyl)-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
SMILESO=C(O)C1=NOC2(CCC(CO)CC2)C1
InChIInChI=1S/C10H15NO4/c12-6-7-1-3-10(4-2-7)5-8(9(13)14)11-15-10/h7,12H,1-6H2,(H,13,14)
InChIKeyXMCCJJVTNFNNSO-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.77
Rot. Bonds2

About 8-(hydroxymethyl)-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid

8-(hydroxymethyl)-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid (PubChem CID 19085075) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 8-(hydroxymethyl)-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid.

Molecular Properties

Compound Name8-(hydroxymethyl)-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
PubChem CID19085075
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name8-(hydroxymethyl)-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
SMILESO=C(O)C1=NOC2(CCC(CO)CC2)C1
InChIInChI=1S/C10H15NO4/c12-6-7-1-3-10(4-2-7)5-8(9(13)14)11-15-10/h7,12H,1-6H2,(H,13,14)
InChIKeyXMCCJJVTNFNNSO-UHFFFAOYSA-N
XLogP0.77
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-Formyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
CID 19085042
3-Methyl-1-oxa-2-azaspiro[4.5]dec-2-ene-8-carboxylic acid
CID 57951454
5-Cyclohexyl-4,5-dihydroisoxazole-3-carboxylic acid
CID 66832151
8-Cyclohexyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
CID 67317763
3-Ethoxycarbonyl-1-oxa-2-azaspiro[4.5]dec-2-ene-8-carboxylic acid
CID 85960831
8-Ethyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
CID 165470055
8-Methyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
CID 165477798
8-(Propan-2-yl)-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
CID 165477853
8-Propyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
CID 165832736

Frequently Asked Questions

What is the IUPAC name of 8-(hydroxymethyl)-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid?
The IUPAC name of 8-(hydroxymethyl)-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid (CID 19085075) is 8-(hydroxymethyl)-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid.
What is the SMILES notation for 8-(hydroxymethyl)-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid?
The canonical SMILES for 8-(hydroxymethyl)-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid is O=C(O)C1=NOC2(CCC(CO)CC2)C1.
What is the InChIKey of 8-(hydroxymethyl)-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid?
The InChIKey is XMCCJJVTNFNNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c12-6-7-1-3-10(4-2-7)5-8(9(13)14)11-15-10/h7,12H,1-6H2,(H,13,14).
What are the key properties of 8-(hydroxymethyl)-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid?
8-(hydroxymethyl)-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid has a molecular weight of 213.23 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(hydroxymethyl)-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid is sourced from PubChem (CID 19085075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).