2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]propanoic acid

C18H22F2N2O3 — CID 66865037

IUPAC2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]propanoic acid
SMILESCC(C(=O)O)N1C(=O)C2(CCCC2)NC[C@@]1(C)c1cc(F)cc(F)c1
InChIInChI=1S/C18H22F2N2O3/c1-11(15(23)24)22-16(25)18(5-3-4-6-18)21-10-17(22,2)12-7-13(19)9-14(20)8-12/h7-9,11,21H,3-6,10H2,1-2H3,(H,23,24)/t11?,17-/m0/s1
InChIKeyCVGSAKNLBQTNTN-KLLZUTDZSA-N
MW352.38 g/mol
LogP2.40
Rot. Bonds3

About 2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]propanoic acid

2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]propanoic acid (PubChem CID 66865037) has the molecular formula C18H22F2N2O3 and a molecular weight of 352.38 g/mol. Its IUPAC name is 2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]propanoic acid.

Molecular Properties

Compound Name2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]propanoic acid
PubChem CID66865037
Molecular FormulaC18H22F2N2O3
Molecular Weight352.38 g/mol
Exact Mass352.16
IUPAC Name2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]propanoic acid
SMILESCC(C(=O)O)N1C(=O)C2(CCCC2)NC[C@@]1(C)c1cc(F)cc(F)c1
InChIInChI=1S/C18H22F2N2O3/c1-11(15(23)24)22-16(25)18(5-3-4-6-18)21-10-17(22,2)12-7-13(19)9-14(20)8-12/h7-9,11,21H,3-6,10H2,1-2H3,(H,23,24)/t11?,17-/m0/s1
InChIKeyCVGSAKNLBQTNTN-KLLZUTDZSA-N
XLogP2.40
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]propanoic acid?
The IUPAC name of 2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]propanoic acid (CID 66865037) is 2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]propanoic acid.
What is the SMILES notation for 2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]propanoic acid?
The canonical SMILES for 2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]propanoic acid is CC(C(=O)O)N1C(=O)C2(CCCC2)NC[C@@]1(C)c1cc(F)cc(F)c1.
What is the InChIKey of 2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]propanoic acid?
The InChIKey is CVGSAKNLBQTNTN-KLLZUTDZSA-N. The full InChI is InChI=1S/C18H22F2N2O3/c1-11(15(23)24)22-16(25)18(5-3-4-6-18)21-10-17(22,2)12-7-13(19)9-14(20)8-12/h7-9,11,21H,3-6,10H2,1-2H3,(H,23,24)/t11?,17-/m0/s1.
What are the key properties of 2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]propanoic acid?
2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]propanoic acid has a molecular weight of 352.38 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]propanoic acid is sourced from PubChem (CID 66865037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).