1-oxaspiro[4.4]nonane-2-carboxylic acid

C9H14O3 — CID 130585120

IUPAC1-oxaspiro[4.4]nonane-2-carboxylic acid
SMILESO=C(O)C1CCC2(CCCC2)O1
InChIInChI=1S/C9H14O3/c10-8(11)7-3-6-9(12-7)4-1-2-5-9/h7H,1-6H2,(H,10,11)
InChIKeyIOFOQSOKSFEVMY-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.56
Rot. Bonds1

About 1-oxaspiro[4.4]nonane-2-carboxylic acid

1-oxaspiro[4.4]nonane-2-carboxylic acid (PubChem CID 130585120) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 1-oxaspiro[4.4]nonane-2-carboxylic acid.

Molecular Properties

Compound Name1-oxaspiro[4.4]nonane-2-carboxylic acid
PubChem CID130585120
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name1-oxaspiro[4.4]nonane-2-carboxylic acid
SMILESO=C(O)C1CCC2(CCCC2)O1
InChIInChI=1S/C9H14O3/c10-8(11)7-3-6-9(12-7)4-1-2-5-9/h7H,1-6H2,(H,10,11)
InChIKeyIOFOQSOKSFEVMY-UHFFFAOYSA-N
XLogP1.56
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,9-dioxaspiro[4.6]undecane-2-carboxylic acid
CID 130585145
4,9,12-trioxadispiro[4.2.48.25]tetradecane-3-carboxylic acid
CID 131691977
6-oxa-2-azaspiro[4.5]decane-7-carboxylic acid
CID 167736831
1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-4-carboxylic acid
CID 102899119
(2R)-2-amino-3-(1-oxaspiro[4.5]decan-2-yl)propanoic acid
CID 106702778
2-(1-oxaspiro[4.5]decan-2-ylmethoxy)acetic acid
CID 102896245
1-oxaspiro[4.7]dodecan-2-ylmethanamine
CID 130583709
3-(1-oxaspiro[4.4]nonan-2-ylmethylsulfinyl)propanoic acid
CID 102899699
1-oxaspiro[5.5]undecane-4-carboxylic acid
CID 79904011
(5R,7S)-1,8-dioxaspiro[4.5]decane-7-carboxylic acid
CID 130933893
5-oxaspiro[3.4]octane-2-carboxylic acid
CID 56962178
3-(1-oxaspiro[4.5]decan-2-ylmethyl)bicyclo[3.1.0]hexane-3-carboxylic acid
CID 102899338

Frequently Asked Questions

What is the IUPAC name of 1-oxaspiro[4.4]nonane-2-carboxylic acid?
The IUPAC name of 1-oxaspiro[4.4]nonane-2-carboxylic acid (CID 130585120) is 1-oxaspiro[4.4]nonane-2-carboxylic acid.
What is the SMILES notation for 1-oxaspiro[4.4]nonane-2-carboxylic acid?
The canonical SMILES for 1-oxaspiro[4.4]nonane-2-carboxylic acid is O=C(O)C1CCC2(CCCC2)O1.
What is the InChIKey of 1-oxaspiro[4.4]nonane-2-carboxylic acid?
The InChIKey is IOFOQSOKSFEVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c10-8(11)7-3-6-9(12-7)4-1-2-5-9/h7H,1-6H2,(H,10,11).
What are the key properties of 1-oxaspiro[4.4]nonane-2-carboxylic acid?
1-oxaspiro[4.4]nonane-2-carboxylic acid has a molecular weight of 170.21 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxaspiro[4.4]nonane-2-carboxylic acid is sourced from PubChem (CID 130585120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).