(5R,7S)-2-(2,3-difluorophenyl)-1-oxo-2-azaspiro[4.5]decane-7-carboxylic acid

C16H17F2NO3 — CID 123255049

IUPAC(5R,7S)-2-(2,3-difluorophenyl)-1-oxo-2-azaspiro[4.5]decane-7-carboxylic acid
SMILESO=C(O)[C@H]1CCC[C@]2(CCN(c3cccc(F)c3F)C2=O)C1
InChIInChI=1S/C16H17F2NO3/c17-11-4-1-5-12(13(11)18)19-8-7-16(15(19)22)6-2-3-10(9-16)14(20)21/h1,4-5,10H,2-3,6-9H2,(H,20,21)/t10-,16-/m0/s1
InChIKeyQBWDHJCCOXYSGQ-QFYYESIMSA-N
MW309.31 g/mol
LogP2.96
Rot. Bonds2

About (5R,7S)-2-(2,3-difluorophenyl)-1-oxo-2-azaspiro[4.5]decane-7-carboxylic acid

(5R,7S)-2-(2,3-difluorophenyl)-1-oxo-2-azaspiro[4.5]decane-7-carboxylic acid (PubChem CID 123255049) has the molecular formula C16H17F2NO3 and a molecular weight of 309.31 g/mol. Its IUPAC name is (5R,7S)-2-(2,3-difluorophenyl)-1-oxo-2-azaspiro[4.5]decane-7-carboxylic acid.

Molecular Properties

Compound Name(5R,7S)-2-(2,3-difluorophenyl)-1-oxo-2-azaspiro[4.5]decane-7-carboxylic acid
PubChem CID123255049
Molecular FormulaC16H17F2NO3
Molecular Weight309.31 g/mol
Exact Mass309.12
IUPAC Name(5R,7S)-2-(2,3-difluorophenyl)-1-oxo-2-azaspiro[4.5]decane-7-carboxylic acid
SMILESO=C(O)[C@H]1CCC[C@]2(CCN(c3cccc(F)c3F)C2=O)C1
InChIInChI=1S/C16H17F2NO3/c17-11-4-1-5-12(13(11)18)19-8-7-16(15(19)22)6-2-3-10(9-16)14(20)21/h1,4-5,10H,2-3,6-9H2,(H,20,21)/t10-,16-/m0/s1
InChIKeyQBWDHJCCOXYSGQ-QFYYESIMSA-N
XLogP2.96
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(5S)-2-(cyclopentanecarbonyl)-7-[(2,3-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 25298738
(5R)-2-(2-chlorophenyl)-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylic acid
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1-[(2,3-difluorophenyl)sulfamoyl]piperidine-4-carboxylic acid
CID 61075380
2-cyclobutyl-1-(2,3-difluorophenyl)pyrrolidine-3-carboxylic acid
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(3S)-1-[2-(2,3-difluorophenyl)acetyl]piperidine-3-carboxylic acid
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1-(2,3-difluorophenyl)-1,3-diazinan-2-one
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Frequently Asked Questions

What is the IUPAC name of (5R,7S)-2-(2,3-difluorophenyl)-1-oxo-2-azaspiro[4.5]decane-7-carboxylic acid?
The IUPAC name of (5R,7S)-2-(2,3-difluorophenyl)-1-oxo-2-azaspiro[4.5]decane-7-carboxylic acid (CID 123255049) is (5R,7S)-2-(2,3-difluorophenyl)-1-oxo-2-azaspiro[4.5]decane-7-carboxylic acid.
What is the SMILES notation for (5R,7S)-2-(2,3-difluorophenyl)-1-oxo-2-azaspiro[4.5]decane-7-carboxylic acid?
The canonical SMILES for (5R,7S)-2-(2,3-difluorophenyl)-1-oxo-2-azaspiro[4.5]decane-7-carboxylic acid is O=C(O)[C@H]1CCC[C@]2(CCN(c3cccc(F)c3F)C2=O)C1.
What is the InChIKey of (5R,7S)-2-(2,3-difluorophenyl)-1-oxo-2-azaspiro[4.5]decane-7-carboxylic acid?
The InChIKey is QBWDHJCCOXYSGQ-QFYYESIMSA-N. The full InChI is InChI=1S/C16H17F2NO3/c17-11-4-1-5-12(13(11)18)19-8-7-16(15(19)22)6-2-3-10(9-16)14(20)21/h1,4-5,10H,2-3,6-9H2,(H,20,21)/t10-,16-/m0/s1.
What are the key properties of (5R,7S)-2-(2,3-difluorophenyl)-1-oxo-2-azaspiro[4.5]decane-7-carboxylic acid?
(5R,7S)-2-(2,3-difluorophenyl)-1-oxo-2-azaspiro[4.5]decane-7-carboxylic acid has a molecular weight of 309.31 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-2-(2,3-difluorophenyl)-1-oxo-2-azaspiro[4.5]decane-7-carboxylic acid is sourced from PubChem (CID 123255049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).