(5R,8S)-8-(3,5-difluorophenyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxylic acid

C15H16F2N2O3 — CID 68705687

IUPAC(5R,8S)-8-(3,5-difluorophenyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxylic acid
SMILESO=C(O)N1CCC[C@]12CC[C@@H](c1cc(F)cc(F)c1)NC2=O
InChIInChI=1S/C15H16F2N2O3/c16-10-6-9(7-11(17)8-10)12-2-4-15(13(20)18-12)3-1-5-19(15)14(21)22/h6-8,12H,1-5H2,(H,18,20)(H,21,22)/t12-,15+/m0/s1
InChIKeyOVAVYUGEHBWOQU-SWLSCSKDSA-N
MW310.30 g/mol
LogP2.43
Rot. Bonds1

About (5R,8S)-8-(3,5-difluorophenyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxylic acid

(5R,8S)-8-(3,5-difluorophenyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxylic acid (PubChem CID 68705687) has the molecular formula C15H16F2N2O3 and a molecular weight of 310.30 g/mol. Its IUPAC name is (5R,8S)-8-(3,5-difluorophenyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxylic acid.

Molecular Properties

Compound Name(5R,8S)-8-(3,5-difluorophenyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxylic acid
PubChem CID68705687
Molecular FormulaC15H16F2N2O3
Molecular Weight310.30 g/mol
Exact Mass310.11
IUPAC Name(5R,8S)-8-(3,5-difluorophenyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxylic acid
SMILESO=C(O)N1CCC[C@]12CC[C@@H](c1cc(F)cc(F)c1)NC2=O
InChIInChI=1S/C15H16F2N2O3/c16-10-6-9(7-11(17)8-10)12-2-4-15(13(20)18-12)3-1-5-19(15)14(21)22/h6-8,12H,1-5H2,(H,18,20)(H,21,22)/t12-,15+/m0/s1
InChIKeyOVAVYUGEHBWOQU-SWLSCSKDSA-N
XLogP2.43
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R,8S)-8-(3,5-difluorophenyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxylic acid?
The IUPAC name of (5R,8S)-8-(3,5-difluorophenyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxylic acid (CID 68705687) is (5R,8S)-8-(3,5-difluorophenyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxylic acid.
What is the SMILES notation for (5R,8S)-8-(3,5-difluorophenyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxylic acid?
The canonical SMILES for (5R,8S)-8-(3,5-difluorophenyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxylic acid is O=C(O)N1CCC[C@]12CC[C@@H](c1cc(F)cc(F)c1)NC2=O.
What is the InChIKey of (5R,8S)-8-(3,5-difluorophenyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxylic acid?
The InChIKey is OVAVYUGEHBWOQU-SWLSCSKDSA-N. The full InChI is InChI=1S/C15H16F2N2O3/c16-10-6-9(7-11(17)8-10)12-2-4-15(13(20)18-12)3-1-5-19(15)14(21)22/h6-8,12H,1-5H2,(H,18,20)(H,21,22)/t12-,15+/m0/s1.
What are the key properties of (5R,8S)-8-(3,5-difluorophenyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxylic acid?
(5R,8S)-8-(3,5-difluorophenyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxylic acid has a molecular weight of 310.30 g/mol, XLogP of 2.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,8S)-8-(3,5-difluorophenyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxylic acid is sourced from PubChem (CID 68705687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).