(5R,9R)-2-oxa-7-azaspiro[4.4]nonane-9-carboxylic acid

C8H13NO3 — CID 95255158

IUPAC(5R,9R)-2-oxa-7-azaspiro[4.4]nonane-9-carboxylic acid
SMILESO=C(O)[C@H]1CNC[C@@]12CCOC2
InChIInChI=1S/C8H13NO3/c10-7(11)6-3-9-4-8(6)1-2-12-5-8/h6,9H,1-5H2,(H,10,11)/t6-,8-/m1/s1
InChIKeyPBHNFNXCFFXFHC-HTRCEHHLSA-N
MW171.20 g/mol
LogP-0.30
Rot. Bonds1

About (5R,9R)-2-oxa-7-azaspiro[4.4]nonane-9-carboxylic acid

(5R,9R)-2-oxa-7-azaspiro[4.4]nonane-9-carboxylic acid (PubChem CID 95255158) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is (5R,9R)-2-oxa-7-azaspiro[4.4]nonane-9-carboxylic acid.

Molecular Properties

Compound Name(5R,9R)-2-oxa-7-azaspiro[4.4]nonane-9-carboxylic acid
PubChem CID95255158
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name(5R,9R)-2-oxa-7-azaspiro[4.4]nonane-9-carboxylic acid
SMILESO=C(O)[C@H]1CNC[C@@]12CCOC2
InChIInChI=1S/C8H13NO3/c10-7(11)6-3-9-4-8(6)1-2-12-5-8/h6,9H,1-5H2,(H,10,11)/t6-,8-/m1/s1
InChIKeyPBHNFNXCFFXFHC-HTRCEHHLSA-N
XLogP-0.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-oxa-2-azaspiro[3.4]octane-8-carboxylic acid
CID 155893861
methyl 8-oxa-2-azaspiro[4.5]decane-4-carboxylate
CID 104706034
2,2-dimethyl-6-azaspiro[3.4]octane-8-carboxylic acid
CID 131143190
(2R,3R)-5-oxaspiro[2.5]octane-2-carboxylic acid
CID 95364014
(3R)-7-oxaspiro[3.5]nonane-3-carboxylic acid
CID 125041561
8-methyl-2-azaspiro[4.6]undecane-4-carboxylic acid
CID 65082433
2-oxa-9-azaspiro[4.5]decan-6-ol
CID 82415907
3-oxo-7-oxa-2-azaspiro[4.4]nonane-1-carboxylic acid
CID 83482975
(3R)-7-oxa-2-azaspiro[3.5]nonane-3-carboxylic acid
CID 125424405
4,4-diethylpyrrolidine-3-carboxylic acid
CID 63939611
8-azaspiro[4.5]decane-10-carboxylic acid
CID 91278637
5-azaspiro[2.5]octane-2-carboxylic acid;hydrochloride
CID 122163372

Frequently Asked Questions

What is the IUPAC name of (5R,9R)-2-oxa-7-azaspiro[4.4]nonane-9-carboxylic acid?
The IUPAC name of (5R,9R)-2-oxa-7-azaspiro[4.4]nonane-9-carboxylic acid (CID 95255158) is (5R,9R)-2-oxa-7-azaspiro[4.4]nonane-9-carboxylic acid.
What is the SMILES notation for (5R,9R)-2-oxa-7-azaspiro[4.4]nonane-9-carboxylic acid?
The canonical SMILES for (5R,9R)-2-oxa-7-azaspiro[4.4]nonane-9-carboxylic acid is O=C(O)[C@H]1CNC[C@@]12CCOC2.
What is the InChIKey of (5R,9R)-2-oxa-7-azaspiro[4.4]nonane-9-carboxylic acid?
The InChIKey is PBHNFNXCFFXFHC-HTRCEHHLSA-N. The full InChI is InChI=1S/C8H13NO3/c10-7(11)6-3-9-4-8(6)1-2-12-5-8/h6,9H,1-5H2,(H,10,11)/t6-,8-/m1/s1.
What are the key properties of (5R,9R)-2-oxa-7-azaspiro[4.4]nonane-9-carboxylic acid?
(5R,9R)-2-oxa-7-azaspiro[4.4]nonane-9-carboxylic acid has a molecular weight of 171.20 g/mol, XLogP of -0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,9R)-2-oxa-7-azaspiro[4.4]nonane-9-carboxylic acid is sourced from PubChem (CID 95255158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).