1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid

C9H13NO3 — CID 50994114

IUPAC1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
SMILESO=C(O)C1=NOC2(CCCCC2)C1
InChIInChI=1S/C9H13NO3/c11-8(12)7-6-9(13-10-7)4-2-1-3-5-9/h1-6H2,(H,11,12)
InChIKeyFTWCGHJFEWJCMK-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.55
Rot. Bonds1

About 1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid

1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid (PubChem CID 50994114) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid.

Molecular Properties

Compound Name1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
PubChem CID50994114
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
SMILESO=C(O)C1=NOC2(CCCCC2)C1
InChIInChI=1S/C9H13NO3/c11-8(12)7-6-9(13-10-7)4-2-1-3-5-9/h1-6H2,(H,11,12)
InChIKeyFTWCGHJFEWJCMK-UHFFFAOYSA-N
XLogP1.55
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Hydroxyimino-1-oxaspiro[4.5]decan-2-one
CID 166446105
8,8-Difluoro-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
CID 50994116
7-(Trifluoromethyl)-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
CID 165749603
3a,4,5,6,7,7a-Hexahydro-1,2-benzisoxazole-3-carboxylic acid
CID 2759271
2-(4-Hydroxyiminocyclohexyl)acetic acid
CID 11240737
8-Tert-butyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
CID 57951449
Ethyl 1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate
CID 59280111
5,5-dipentyl-4H-1,2-oxazole-3-carboxylic acid
CID 66587689
5-Cyclohexyl-4,5-dihydroisoxazole-3-carboxylic acid
CID 66832151
8-(2-Methylbutan-2-yl)-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
CID 67316341
8-Cyclohexyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
CID 67317763
4-Tert-butyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
CID 69116535

Frequently Asked Questions

What is the IUPAC name of 1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid?
The IUPAC name of 1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid (CID 50994114) is 1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid.
What is the SMILES notation for 1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid?
The canonical SMILES for 1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid is O=C(O)C1=NOC2(CCCCC2)C1.
What is the InChIKey of 1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid?
The InChIKey is FTWCGHJFEWJCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c11-8(12)7-6-9(13-10-7)4-2-1-3-5-9/h1-6H2,(H,11,12).
What are the key properties of 1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid?
1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid has a molecular weight of 183.21 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid is sourced from PubChem (CID 50994114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).