(5S)-2,9-diazaspiro[4.5]decane-2-carboxylic acid

C9H16N2O2 — CID 99185249

IUPAC(5S)-2,9-diazaspiro[4.5]decane-2-carboxylic acid
SMILESO=C(O)N1CC[C@]2(CCCNC2)C1
InChIInChI=1S/C9H16N2O2/c12-8(13)11-5-3-9(7-11)2-1-4-10-6-9/h10H,1-7H2,(H,12,13)/t9-/m0/s1
InChIKeySUUOTUHNULFDRE-VIFPVBQESA-N
MW184.24 g/mol
LogP0.74
Rot. Bonds

About (5S)-2,9-diazaspiro[4.5]decane-2-carboxylic acid

(5S)-2,9-diazaspiro[4.5]decane-2-carboxylic acid (PubChem CID 99185249) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is (5S)-2,9-diazaspiro[4.5]decane-2-carboxylic acid.

Molecular Properties

Compound Name(5S)-2,9-diazaspiro[4.5]decane-2-carboxylic acid
PubChem CID99185249
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name(5S)-2,9-diazaspiro[4.5]decane-2-carboxylic acid
SMILESO=C(O)N1CC[C@]2(CCCNC2)C1
InChIInChI=1S/C9H16N2O2/c12-8(13)11-5-3-9(7-11)2-1-4-10-6-9/h10H,1-7H2,(H,12,13)/t9-/m0/s1
InChIKeySUUOTUHNULFDRE-VIFPVBQESA-N
XLogP0.74
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cyclobutyl(2,9-diazaspiro[4.5]decan-2-yl)methanone
CID 134068804
2,9-diazaspiro[5.5]undecane-2-carboxylic acid
CID 68609636
2,7-diazaspiro[3.4]octane-2,7-dicarboxylic acid
CID 154311933
[(5S)-2,9-diazaspiro[4.5]decan-2-yl]-(2,4,5-trimethylphenyl)methanone
CID 95217985
2,9-diazaspiro[4.5]decan-2-yl-(2,4,5-trimethylphenyl)methanone
CID 56754594
1-(2,9-diazaspiro[4.5]decan-2-yl)-2-(2-methoxyethoxy)ethanone
CID 56755922
cyclobutyl(2,8-diazaspiro[5.5]undecan-2-yl)methanone
CID 102849782
[3-(2,9-diazaspiro[4.5]decane-2-carbonyl)pyrazin-2-yl]-piperidin-1-ylmethanone;hydrochloride
CID 154888814
2,8-diazaspiro[5.5]undecan-2-yl-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 102849814
1-(2,8-diazaspiro[5.5]undecan-2-yl)butane-1,3-dione
CID 110460606
methyl 2,8-diazaspiro[3.5]nonane-2-carboxylate
CID 83906845
1-(2,8-diazaspiro[5.5]undecan-2-yl)-3-methylbutan-1-one
CID 82038247

Frequently Asked Questions

What is the IUPAC name of (5S)-2,9-diazaspiro[4.5]decane-2-carboxylic acid?
The IUPAC name of (5S)-2,9-diazaspiro[4.5]decane-2-carboxylic acid (CID 99185249) is (5S)-2,9-diazaspiro[4.5]decane-2-carboxylic acid.
What is the SMILES notation for (5S)-2,9-diazaspiro[4.5]decane-2-carboxylic acid?
The canonical SMILES for (5S)-2,9-diazaspiro[4.5]decane-2-carboxylic acid is O=C(O)N1CC[C@]2(CCCNC2)C1.
What is the InChIKey of (5S)-2,9-diazaspiro[4.5]decane-2-carboxylic acid?
The InChIKey is SUUOTUHNULFDRE-VIFPVBQESA-N. The full InChI is InChI=1S/C9H16N2O2/c12-8(13)11-5-3-9(7-11)2-1-4-10-6-9/h10H,1-7H2,(H,12,13)/t9-/m0/s1.
What are the key properties of (5S)-2,9-diazaspiro[4.5]decane-2-carboxylic acid?
(5S)-2,9-diazaspiro[4.5]decane-2-carboxylic acid has a molecular weight of 184.24 g/mol, XLogP of 0.74, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2,9-diazaspiro[4.5]decane-2-carboxylic acid is sourced from PubChem (CID 99185249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).