(3R)-7-oxaspiro[3.5]nonane-3-carboxylic acid

C9H14O3 — CID 125041561

IUPAC(3R)-7-oxaspiro[3.5]nonane-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCC12CCOCC2
InChIInChI=1S/C9H14O3/c10-8(11)7-1-2-9(7)3-5-12-6-4-9/h7H,1-6H2,(H,10,11)/t7-/m0/s1
InChIKeyVSUDUEXOJXIRID-ZETCQYMHSA-N
MW170.21 g/mol
LogP1.28
Rot. Bonds1

About (3R)-7-oxaspiro[3.5]nonane-3-carboxylic acid

(3R)-7-oxaspiro[3.5]nonane-3-carboxylic acid (PubChem CID 125041561) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is (3R)-7-oxaspiro[3.5]nonane-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-7-oxaspiro[3.5]nonane-3-carboxylic acid
PubChem CID125041561
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name(3R)-7-oxaspiro[3.5]nonane-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCC12CCOCC2
InChIInChI=1S/C9H14O3/c10-8(11)7-1-2-9(7)3-5-12-6-4-9/h7H,1-6H2,(H,10,11)/t7-/m0/s1
InChIKeyVSUDUEXOJXIRID-ZETCQYMHSA-N
XLogP1.28
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 ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

spiro[3.4]octane-8-carboxylic acid
CID 83905140
2-methyl-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
CID 121199824
spiro[5.6]dodecane-12-carboxylic acid
CID 59513338
8-oxa-1-azaspiro[4.5]decane-4-carboxylic acid;hydrochloride
CID 138987845
9-prop-2-enoyl-3-oxa-9-azaspiro[5.5]undecane-11-carboxylic acid
CID 155822731
(3R)-7-oxa-2-azaspiro[3.5]nonane-3-carboxylic acid
CID 125424405
(5R,9R)-2-oxa-7-azaspiro[4.4]nonane-9-carboxylic acid
CID 95255158
6-aminospiro[2.5]octane-2-carboxylic acid
CID 84653499
4,4-dimethyloxane-3-carboxylic acid
CID 83669967
1,4,7,10,16,19-hexaoxacyclotetracosane-12,13,13,22-tetracarboxylic acid
CID 19822393
6-(methylamino)spiro[2.5]octane-2-carboxylic acid
CID 129319663
(2R,3R)-5-oxaspiro[2.5]octane-2-carboxylic acid
CID 95364014

Frequently Asked Questions

What is the IUPAC name of (3R)-7-oxaspiro[3.5]nonane-3-carboxylic acid?
The IUPAC name of (3R)-7-oxaspiro[3.5]nonane-3-carboxylic acid (CID 125041561) is (3R)-7-oxaspiro[3.5]nonane-3-carboxylic acid.
What is the SMILES notation for (3R)-7-oxaspiro[3.5]nonane-3-carboxylic acid?
The canonical SMILES for (3R)-7-oxaspiro[3.5]nonane-3-carboxylic acid is O=C(O)[C@@H]1CCC12CCOCC2.
What is the InChIKey of (3R)-7-oxaspiro[3.5]nonane-3-carboxylic acid?
The InChIKey is VSUDUEXOJXIRID-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H14O3/c10-8(11)7-1-2-9(7)3-5-12-6-4-9/h7H,1-6H2,(H,10,11)/t7-/m0/s1.
What are the key properties of (3R)-7-oxaspiro[3.5]nonane-3-carboxylic acid?
(3R)-7-oxaspiro[3.5]nonane-3-carboxylic acid has a molecular weight of 170.21 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-oxaspiro[3.5]nonane-3-carboxylic acid is sourced from PubChem (CID 125041561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).