2-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylic acid

C12H15F3N2O3 — CID 175981367

IUPAC2-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylic acid
SMILESO=C(O)C1CNCC12CN(C(=O)C1(C(F)(F)F)CC1)C2
InChIInChI=1S/C12H15F3N2O3/c13-12(14,15)11(1-2-11)9(20)17-5-10(6-17)4-16-3-7(10)8(18)19/h7,16H,1-6H2,(H,18,19)
InChIKeyXDXYROVUVSUKAK-UHFFFAOYSA-N
MW292.26 g/mol
LogP0.46
Rot. Bonds2

About 2-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylic acid

2-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylic acid (PubChem CID 175981367) has the molecular formula C12H15F3N2O3 and a molecular weight of 292.26 g/mol. Its IUPAC name is 2-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylic acid.

Molecular Properties

Compound Name2-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylic acid
PubChem CID175981367
Molecular FormulaC12H15F3N2O3
Molecular Weight292.26 g/mol
Exact Mass292.10
IUPAC Name2-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylic acid
SMILESO=C(O)C1CNCC12CN(C(=O)C1(C(F)(F)F)CC1)C2
InChIInChI=1S/C12H15F3N2O3/c13-12(14,15)11(1-2-11)9(20)17-5-10(6-17)4-16-3-7(10)8(18)19/h7,16H,1-6H2,(H,18,19)
InChIKeyXDXYROVUVSUKAK-UHFFFAOYSA-N
XLogP0.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S)-4-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 96868579
[5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2,7-diazaspiro[3.4]octan-2-yl]-[1-(trifluoromethyl)cyclopropyl]methanone
CID 175984124
2,2-dimethyl-6-azaspiro[3.4]octane-8-carboxylic acid
CID 131143190
pyrrolidin-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone
CID 130382404
tert-butyl 2-(2,2-dimethylcyclopropanecarbonyl)-2,7-diazaspiro[3.4]octane-5-carboxylate
CID 170755384
(4-hydroxypiperidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone
CID 166513698
(5R,9R)-2-oxa-7-azaspiro[4.4]nonane-9-carboxylic acid
CID 95255158
1-[1-(trifluoromethyl)cyclobutanecarbonyl]piperidine-4-carboxylic acid
CID 175285784
[(3S)-3-fluoropyrrolidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone
CID 175876207
8-methyl-2-azaspiro[4.6]undecane-4-carboxylic acid
CID 65082433
5-azaspiro[2.3]hexane-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 155822908
(3-propan-2-ylazetidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone
CID 58054361

Frequently Asked Questions

What is the IUPAC name of 2-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylic acid?
The IUPAC name of 2-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylic acid (CID 175981367) is 2-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylic acid.
What is the SMILES notation for 2-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylic acid?
The canonical SMILES for 2-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylic acid is O=C(O)C1CNCC12CN(C(=O)C1(C(F)(F)F)CC1)C2.
What is the InChIKey of 2-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylic acid?
The InChIKey is XDXYROVUVSUKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3/c13-12(14,15)11(1-2-11)9(20)17-5-10(6-17)4-16-3-7(10)8(18)19/h7,16H,1-6H2,(H,18,19).
What are the key properties of 2-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylic acid?
2-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylic acid has a molecular weight of 292.26 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylic acid is sourced from PubChem (CID 175981367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).