6-[2-(2,3-difluorophenyl)cyclopropanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid

C18H19F2NO3 — CID 119175019

IUPAC6-[2-(2,3-difluorophenyl)cyclopropanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESO=C(O)C1CC12CCN(C(=O)C1CC1c1cccc(F)c1F)CC2
InChIInChI=1S/C18H19F2NO3/c19-14-3-1-2-10(15(14)20)11-8-12(11)16(22)21-6-4-18(5-7-21)9-13(18)17(23)24/h1-3,11-13H,4-9H2,(H,23,24)
InChIKeyDZGRLEAPLFZQEI-UHFFFAOYSA-N
MW335.35 g/mol
LogP2.78
Rot. Bonds3

About 6-[2-(2,3-difluorophenyl)cyclopropanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid

6-[2-(2,3-difluorophenyl)cyclopropanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid (PubChem CID 119175019) has the molecular formula C18H19F2NO3 and a molecular weight of 335.35 g/mol. Its IUPAC name is 6-[2-(2,3-difluorophenyl)cyclopropanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-(2,3-difluorophenyl)cyclopropanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
PubChem CID119175019
Molecular FormulaC18H19F2NO3
Molecular Weight335.35 g/mol
Exact Mass335.13
IUPAC Name6-[2-(2,3-difluorophenyl)cyclopropanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESO=C(O)C1CC12CCN(C(=O)C1CC1c1cccc(F)c1F)CC2
InChIInChI=1S/C18H19F2NO3/c19-14-3-1-2-10(15(14)20)11-8-12(11)16(22)21-6-4-18(5-7-21)9-13(18)17(23)24/h1-3,11-13H,4-9H2,(H,23,24)
InChIKeyDZGRLEAPLFZQEI-UHFFFAOYSA-N
XLogP2.78
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2,3-difluorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251379
1-[2-(2,3-difluorophenyl)cyclopropanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256820
[2-(2,3-difluorophenyl)cyclopropyl]-(4-hydroxypiperidin-1-yl)methanone
CID 111459530
1-[2-(2,3-difluorophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid
CID 119354031
6-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175706
(3S)-4-[(1R,2S)-2-(2,3-difluorophenyl)cyclopropanecarbonyl]morpholine-3-carboxylic acid
CID 125133538
(3S)-4-[(1S,2S)-2-(2,3-difluorophenyl)cyclopropanecarbonyl]morpholine-3-carboxylic acid
CID 125133540
[(1R,2S)-2-(2,3-difluorophenyl)cyclopropyl]-[(3R,5R)-3,5-dimethylpiperazin-1-yl]methanone
CID 124590610
[4-(3-aminopropoxy)piperidin-1-yl]-[2-(2,3-difluorophenyl)cyclopropyl]methanone
CID 119664731
6-(4-fluoro-3-methyl-1-benzothiophene-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175443
[2-(2,3-difluorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119542477
2-[2-(2,3-difluorophenyl)cyclopropanecarbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 119195899

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,3-difluorophenyl)cyclopropanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 6-[2-(2,3-difluorophenyl)cyclopropanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid (CID 119175019) is 6-[2-(2,3-difluorophenyl)cyclopropanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 6-[2-(2,3-difluorophenyl)cyclopropanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 6-[2-(2,3-difluorophenyl)cyclopropanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid is O=C(O)C1CC12CCN(C(=O)C1CC1c1cccc(F)c1F)CC2.
What is the InChIKey of 6-[2-(2,3-difluorophenyl)cyclopropanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is DZGRLEAPLFZQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO3/c19-14-3-1-2-10(15(14)20)11-8-12(11)16(22)21-6-4-18(5-7-21)9-13(18)17(23)24/h1-3,11-13H,4-9H2,(H,23,24).
What are the key properties of 6-[2-(2,3-difluorophenyl)cyclopropanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
6-[2-(2,3-difluorophenyl)cyclopropanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 335.35 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,3-difluorophenyl)cyclopropanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 119175019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).