(3S)-8-amino-3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one

C15H22N2O3 — CID 118232984

IUPAC(3S)-8-amino-3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one
SMILESCC1=C(N2C(=O)C3(CCC(N)CC3)C[C@@H]2C)COC1=O
InChIInChI=1S/C15H22N2O3/c1-9-7-15(5-3-11(16)4-6-15)14(19)17(9)12-8-20-13(18)10(12)2/h9,11H,3-8,16H2,1-2H3/t9-,11?,15?/m0/s1
InChIKeyRFLPEQZHIUWQAV-IEBVAXJPSA-N
MW278.35 g/mol
LogP1.33
Rot. Bonds1

About (3S)-8-amino-3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one

(3S)-8-amino-3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one (PubChem CID 118232984) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (3S)-8-amino-3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(3S)-8-amino-3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one
PubChem CID118232984
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(3S)-8-amino-3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one
SMILESCC1=C(N2C(=O)C3(CCC(N)CC3)C[C@@H]2C)COC1=O
InChIInChI=1S/C15H22N2O3/c1-9-7-15(5-3-11(16)4-6-15)14(19)17(9)12-8-20-13(18)10(12)2/h9,11H,3-8,16H2,1-2H3/t9-,11?,15?/m0/s1
InChIKeyRFLPEQZHIUWQAV-IEBVAXJPSA-N
XLogP1.33
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-8-amino-3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one?
The IUPAC name of (3S)-8-amino-3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one (CID 118232984) is (3S)-8-amino-3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for (3S)-8-amino-3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for (3S)-8-amino-3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one is CC1=C(N2C(=O)C3(CCC(N)CC3)C[C@@H]2C)COC1=O.
What is the InChIKey of (3S)-8-amino-3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one?
The InChIKey is RFLPEQZHIUWQAV-IEBVAXJPSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-9-7-15(5-3-11(16)4-6-15)14(19)17(9)12-8-20-13(18)10(12)2/h9,11H,3-8,16H2,1-2H3/t9-,11?,15?/m0/s1.
What are the key properties of (3S)-8-amino-3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one?
(3S)-8-amino-3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one has a molecular weight of 278.35 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-8-amino-3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 118232984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).