2-[(1R)-2,2-difluorocyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylic acid

C11H14F2N2O3 — CID 175990541

IUPAC2-[(1R)-2,2-difluorocyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylic acid
SMILESO=C(O)C1CNCC12CN(C(=O)[C@H]1CC1(F)F)C2
InChIInChI=1S/C11H14F2N2O3/c12-11(13)1-6(11)8(16)15-4-10(5-15)3-14-2-7(10)9(17)18/h6-7,14H,1-5H2,(H,17,18)/t6-,7?/m1/s1
InChIKeyLTOZMVCIYNLTNM-ULUSZKPHSA-N
MW260.24 g/mol
LogP-0.23
Rot. Bonds2

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

2-[(1R)-2,2-difluorocyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylic acid (PubChem CID 175990541) has the molecular formula C11H14F2N2O3 and a molecular weight of 260.24 g/mol. Its IUPAC name is 2-[(1R)-2,2-difluorocyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylic acid.

Molecular Properties

Compound Name2-[(1R)-2,2-difluorocyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylic acid
PubChem CID175990541
Molecular FormulaC11H14F2N2O3
Molecular Weight260.24 g/mol
Exact Mass260.10
IUPAC Name2-[(1R)-2,2-difluorocyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylic acid
SMILESO=C(O)C1CNCC12CN(C(=O)[C@H]1CC1(F)F)C2
InChIInChI=1S/C11H14F2N2O3/c12-11(13)1-6(11)8(16)15-4-10(5-15)3-14-2-7(10)9(17)18/h6-7,14H,1-5H2,(H,17,18)/t6-,7?/m1/s1
InChIKeyLTOZMVCIYNLTNM-ULUSZKPHSA-N
XLogP-0.23
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(1R)-2,2-difluorocyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylic acid with MolForge

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Related Compounds

2,6-Diazaspiro[3.4]octan-7-one; trifluoroacetic acid
CID 134611665
Ethane;ethyl 2-(2,2-difluoro-1-methylcyclopropanecarbonyl)-2,7-diazaspiro[3.4]octane-5-carboxylate
CID 170756090
Ethyl 2-(2,2-difluoro-1-methylcyclopropanecarbonyl)-2,7-diazaspiro[3.4]octane-5-carboxylate
CID 170756091
Ethyl 2-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylate
CID 170756464
(5S)-2-(3,3,3-trifluoro-2,2-dimethylpropanoyl)-2,7-diazaspiro[3.4]octane-5-carboxylic acid
CID 170757471
methyl (5S)-2-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylate
CID 170758949
(5S)-2-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylic acid
CID 170759033
tert-butyl (5S)-2-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylate
CID 175981314
2-[1-(Trifluoromethyl)cyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxamide
CID 175981334
2-[1-(Trifluoromethyl)cyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylic acid
CID 175981367
1-[3-(Methylamino)propanoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 55226699
1-[3-(Ethylamino)propanoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 55226876

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-2,2-difluorocyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylic acid?
The IUPAC name of 2-[(1R)-2,2-difluorocyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylic acid (CID 175990541) is 2-[(1R)-2,2-difluorocyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylic acid.
What is the SMILES notation for 2-[(1R)-2,2-difluorocyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylic acid?
The canonical SMILES for 2-[(1R)-2,2-difluorocyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylic acid is O=C(O)C1CNCC12CN(C(=O)[C@H]1CC1(F)F)C2.
What is the InChIKey of 2-[(1R)-2,2-difluorocyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylic acid?
The InChIKey is LTOZMVCIYNLTNM-ULUSZKPHSA-N. The full InChI is InChI=1S/C11H14F2N2O3/c12-11(13)1-6(11)8(16)15-4-10(5-15)3-14-2-7(10)9(17)18/h6-7,14H,1-5H2,(H,17,18)/t6-,7?/m1/s1.
What are the key properties of 2-[(1R)-2,2-difluorocyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylic acid?
2-[(1R)-2,2-difluorocyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylic acid has a molecular weight of 260.24 g/mol, XLogP of -0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-2,2-difluorocyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylic acid is sourced from PubChem (CID 175990541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).