(5R)-2-(3-aminopropanoyl)-7-[(2,3-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one

C18H23F2N3O2 — CID 126451477

IUPAC(5R)-2-(3-aminopropanoyl)-7-[(2,3-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESNCCC(=O)N1CC[C@]2(CCCN(Cc3cccc(F)c3F)C2=O)C1
InChIInChI=1S/C18H23F2N3O2/c19-14-4-1-3-13(16(14)20)11-22-9-2-6-18(17(22)25)7-10-23(12-18)15(24)5-8-21/h1,3-4H,2,5-12,21H2/t18-/m1/s1
InChIKeyFYMHOLISGXRYMZ-GOSISDBHSA-N
MW351.40 g/mol
LogP1.65
Rot. Bonds4

About (5R)-2-(3-aminopropanoyl)-7-[(2,3-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one

(5R)-2-(3-aminopropanoyl)-7-[(2,3-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 126451477) has the molecular formula C18H23F2N3O2 and a molecular weight of 351.40 g/mol. Its IUPAC name is (5R)-2-(3-aminopropanoyl)-7-[(2,3-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-2-(3-aminopropanoyl)-7-[(2,3-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID126451477
Molecular FormulaC18H23F2N3O2
Molecular Weight351.40 g/mol
Exact Mass351.18
IUPAC Name(5R)-2-(3-aminopropanoyl)-7-[(2,3-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESNCCC(=O)N1CC[C@]2(CCCN(Cc3cccc(F)c3F)C2=O)C1
InChIInChI=1S/C18H23F2N3O2/c19-14-4-1-3-13(16(14)20)11-22-9-2-6-18(17(22)25)7-10-23(12-18)15(24)5-8-21/h1,3-4H,2,5-12,21H2/t18-/m1/s1
InChIKeyFYMHOLISGXRYMZ-GOSISDBHSA-N
XLogP1.65
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-7-[(2,3-difluorophenyl)methyl]-2-(3-methylsulfanylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42567368
(5S)-7-[(2,3-difluorophenyl)methyl]-2-(2-methylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25454216
(5R)-7-[(2,3-difluorophenyl)methyl]-2-(3,3-dimethylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25459714
N-[2-[7-[(2,3-difluorophenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]acetamide
CID 45233045
(5S)-2-(cyclopentanecarbonyl)-7-[(2,3-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 25298738
(5S)-7-[(2-fluorophenyl)methyl]-2-(2-methylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25370197
(5S)-7-[(2,3-difluorophenyl)methyl]-2-[1-(methoxymethyl)cyclopropanecarbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 126426601
(5S)-2-(1-aminocyclopropanecarbonyl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 126442122
(5R)-2-(2-cyclopentylacetyl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 25292551
7-[(2,3-difluorophenyl)methyl]-2-(5-methylpyrazolidine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 74441594
2-[(5R)-7-[(2,3-difluorophenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-N-methylacetamide
CID 126451065
(5R)-2-cyclobutyl-7-[(2,3-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 42526301

Frequently Asked Questions

What is the IUPAC name of (5R)-2-(3-aminopropanoyl)-7-[(2,3-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-2-(3-aminopropanoyl)-7-[(2,3-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one (CID 126451477) is (5R)-2-(3-aminopropanoyl)-7-[(2,3-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-2-(3-aminopropanoyl)-7-[(2,3-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-2-(3-aminopropanoyl)-7-[(2,3-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one is NCCC(=O)N1CC[C@]2(CCCN(Cc3cccc(F)c3F)C2=O)C1.
What is the InChIKey of (5R)-2-(3-aminopropanoyl)-7-[(2,3-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is FYMHOLISGXRYMZ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H23F2N3O2/c19-14-4-1-3-13(16(14)20)11-22-9-2-6-18(17(22)25)7-10-23(12-18)15(24)5-8-21/h1,3-4H,2,5-12,21H2/t18-/m1/s1.
What are the key properties of (5R)-2-(3-aminopropanoyl)-7-[(2,3-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
(5R)-2-(3-aminopropanoyl)-7-[(2,3-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 351.40 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(3-aminopropanoyl)-7-[(2,3-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 126451477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).