(5R,8R)-2-azaspiro[4.4]nonane-8-carboxylic acid

C9H15NO2 — CID 96850483

IUPAC(5R,8R)-2-azaspiro[4.4]nonane-8-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@]2(CCNC2)C1
InChIInChI=1S/C9H15NO2/c11-8(12)7-1-2-9(5-7)3-4-10-6-9/h7,10H,1-6H2,(H,11,12)/t7-,9+/m1/s1
InChIKeyWTYXZINCEGSWBO-APPZFPTMSA-N
MW169.22 g/mol
LogP0.85
Rot. Bonds1

About (5R,8R)-2-azaspiro[4.4]nonane-8-carboxylic acid

(5R,8R)-2-azaspiro[4.4]nonane-8-carboxylic acid (PubChem CID 96850483) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (5R,8R)-2-azaspiro[4.4]nonane-8-carboxylic acid.

Molecular Properties

Compound Name(5R,8R)-2-azaspiro[4.4]nonane-8-carboxylic acid
PubChem CID96850483
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(5R,8R)-2-azaspiro[4.4]nonane-8-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@]2(CCNC2)C1
InChIInChI=1S/C9H15NO2/c11-8(12)7-1-2-9(5-7)3-4-10-6-9/h7,10H,1-6H2,(H,11,12)/t7-,9+/m1/s1
InChIKeyWTYXZINCEGSWBO-APPZFPTMSA-N
XLogP0.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-azaspiro[4.4]nonane-8-carbonyl iodide
CID 171847077
spiro[4.5]decane-3-carboxylic acid
CID 13443385
(5R,8S)-2-azaspiro[4.4]nonan-8-amine
CID 97168804
(9S)-spiro[4.5]decane-9-carboxylic acid
CID 67991694
2-azaspiro[4.4]nonan-8-amine
CID 71649078
1-azaspiro[2.4]heptane-5-carboxylic acid
CID 87945137
[(5R,8R)-2-azaspiro[4.4]nonan-8-yl]methanol
CID 97169518
3,3-dihydroxycyclopentane-1-carboxylic acid
CID 67929383
[(5R,8S)-2-azaspiro[4.4]nonan-8-yl]methanamine
CID 97168977
(3R)-N-(cyclopropylmethyl)-8-azaspiro[4.5]decane-3-carboxamide
CID 97493528
8-fluoro-2-azaspiro[4.5]decane
CID 105430719
2,3-diazadispiro[3.1.56.14]dodecane-9-carboxylic acid
CID 174190753

Frequently Asked Questions

What is the IUPAC name of (5R,8R)-2-azaspiro[4.4]nonane-8-carboxylic acid?
The IUPAC name of (5R,8R)-2-azaspiro[4.4]nonane-8-carboxylic acid (CID 96850483) is (5R,8R)-2-azaspiro[4.4]nonane-8-carboxylic acid.
What is the SMILES notation for (5R,8R)-2-azaspiro[4.4]nonane-8-carboxylic acid?
The canonical SMILES for (5R,8R)-2-azaspiro[4.4]nonane-8-carboxylic acid is O=C(O)[C@@H]1CC[C@]2(CCNC2)C1.
What is the InChIKey of (5R,8R)-2-azaspiro[4.4]nonane-8-carboxylic acid?
The InChIKey is WTYXZINCEGSWBO-APPZFPTMSA-N. The full InChI is InChI=1S/C9H15NO2/c11-8(12)7-1-2-9(5-7)3-4-10-6-9/h7,10H,1-6H2,(H,11,12)/t7-,9+/m1/s1.
What are the key properties of (5R,8R)-2-azaspiro[4.4]nonane-8-carboxylic acid?
(5R,8R)-2-azaspiro[4.4]nonane-8-carboxylic acid has a molecular weight of 169.22 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,8R)-2-azaspiro[4.4]nonane-8-carboxylic acid is sourced from PubChem (CID 96850483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).