1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxylic acid

C8H12N2O3 — CID 90755002

IUPAC1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxylic acid
SMILESO=C(O)C1=NOC2(CCCNC2)C1
InChIInChI=1S/C8H12N2O3/c11-7(12)6-4-8(13-10-6)2-1-3-9-5-8/h9H,1-5H2,(H,11,12)
InChIKeyIRQWDBYSNIERRH-UHFFFAOYSA-N
MW184.19 g/mol
LogP-0.03
Rot. Bonds1

About 1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxylic acid

1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxylic acid (PubChem CID 90755002) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxylic acid.

Molecular Properties

Compound Name1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxylic acid
PubChem CID90755002
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxylic acid
SMILESO=C(O)C1=NOC2(CCCNC2)C1
InChIInChI=1S/C8H12N2O3/c11-7(12)6-4-8(13-10-6)2-1-3-9-5-8/h9H,1-5H2,(H,11,12)
InChIKeyIRQWDBYSNIERRH-UHFFFAOYSA-N
XLogP-0.03
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxylic acid?
The IUPAC name of 1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxylic acid (CID 90755002) is 1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxylic acid.
What is the SMILES notation for 1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxylic acid?
The canonical SMILES for 1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxylic acid is O=C(O)C1=NOC2(CCCNC2)C1.
What is the InChIKey of 1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxylic acid?
The InChIKey is IRQWDBYSNIERRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c11-7(12)6-4-8(13-10-6)2-1-3-9-5-8/h9H,1-5H2,(H,11,12).
What are the key properties of 1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxylic acid?
1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxylic acid has a molecular weight of 184.19 g/mol, XLogP of -0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxylic acid is sourced from PubChem (CID 90755002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).