3,3-difluoro-1,8-diazaspiro[3.5]nonane-1,8-dicarboxylic acid

C9H12F2N2O4 — CID 123427706

IUPAC3,3-difluoro-1,8-diazaspiro[3.5]nonane-1,8-dicarboxylic acid
SMILESO=C(O)N1CCCC2(C1)N(C(=O)O)CC2(F)F
InChIInChI=1S/C9H12F2N2O4/c10-9(11)5-13(7(16)17)8(9)2-1-3-12(4-8)6(14)15/h1-5H2,(H,14,15)(H,16,17)
InChIKeyHGFMUEUHURMNPE-UHFFFAOYSA-N
MW250.20 g/mol
LogP1.13
Rot. Bonds

About 3,3-difluoro-1,8-diazaspiro[3.5]nonane-1,8-dicarboxylic acid

3,3-difluoro-1,8-diazaspiro[3.5]nonane-1,8-dicarboxylic acid (PubChem CID 123427706) has the molecular formula C9H12F2N2O4 and a molecular weight of 250.20 g/mol. Its IUPAC name is 3,3-difluoro-1,8-diazaspiro[3.5]nonane-1,8-dicarboxylic acid.

Molecular Properties

Compound Name3,3-difluoro-1,8-diazaspiro[3.5]nonane-1,8-dicarboxylic acid
PubChem CID123427706
Molecular FormulaC9H12F2N2O4
Molecular Weight250.20 g/mol
Exact Mass250.08
IUPAC Name3,3-difluoro-1,8-diazaspiro[3.5]nonane-1,8-dicarboxylic acid
SMILESO=C(O)N1CCCC2(C1)N(C(=O)O)CC2(F)F
InChIInChI=1S/C9H12F2N2O4/c10-9(11)5-13(7(16)17)8(9)2-1-3-12(4-8)6(14)15/h1-5H2,(H,14,15)(H,16,17)
InChIKeyHGFMUEUHURMNPE-UHFFFAOYSA-N
XLogP1.13
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.20
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(3-aminopropyl)-3-fluoropiperidine-1-carboxylic acid
CID 150512700
2-fluoropyrrolidine-1,2-dicarboxylic acid
CID 69306748
2,9-diazaspiro[5.5]undecane-2-carboxylic acid
CID 68609636
3-fluoro-4-hydroxy-3,4-dimethylpiperidine-1-carboxylic acid
CID 156538627
3,3-difluoropiperidine-1,4-dicarboxylic acid
CID 144706599
2,7-diazaspiro[3.4]octane-2,7-dicarboxylic acid
CID 154311933
4,7-diazaspiro[2.5]octane-7-carboxylic acid
CID 89157543
1-oxa-3,9-diazaspiro[4.5]decane-9-carboxylic acid
CID 142790989
3-(3,3-difluoropyrrolidin-1-yl)azetidine-1-carboxylic acid
CID 141284358
8a-(hydroxymethyl)-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine-2-carboxylic acid
CID 69177569
3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxylic acid
CID 68965543
2-methylpiperazine-1,2,4-tricarboxylic acid
CID 90766935

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1,8-diazaspiro[3.5]nonane-1,8-dicarboxylic acid?
The IUPAC name of 3,3-difluoro-1,8-diazaspiro[3.5]nonane-1,8-dicarboxylic acid (CID 123427706) is 3,3-difluoro-1,8-diazaspiro[3.5]nonane-1,8-dicarboxylic acid.
What is the SMILES notation for 3,3-difluoro-1,8-diazaspiro[3.5]nonane-1,8-dicarboxylic acid?
The canonical SMILES for 3,3-difluoro-1,8-diazaspiro[3.5]nonane-1,8-dicarboxylic acid is O=C(O)N1CCCC2(C1)N(C(=O)O)CC2(F)F.
What is the InChIKey of 3,3-difluoro-1,8-diazaspiro[3.5]nonane-1,8-dicarboxylic acid?
The InChIKey is HGFMUEUHURMNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O4/c10-9(11)5-13(7(16)17)8(9)2-1-3-12(4-8)6(14)15/h1-5H2,(H,14,15)(H,16,17).
What are the key properties of 3,3-difluoro-1,8-diazaspiro[3.5]nonane-1,8-dicarboxylic acid?
3,3-difluoro-1,8-diazaspiro[3.5]nonane-1,8-dicarboxylic acid has a molecular weight of 250.20 g/mol, XLogP of 1.13, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1,8-diazaspiro[3.5]nonane-1,8-dicarboxylic acid is sourced from PubChem (CID 123427706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).