8-[(2S)-2-hydroxypentanoyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one

C14H24N2O3 — CID 136586321

IUPAC8-[(2S)-2-hydroxypentanoyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one
SMILESCCC[C@H](O)C(=O)N1CCC2(CCN(C)C2=O)CC1
InChIInChI=1S/C14H24N2O3/c1-3-4-11(17)12(18)16-9-6-14(7-10-16)5-8-15(2)13(14)19/h11,17H,3-10H2,1-2H3/t11-/m0/s1
InChIKeyRDBFWVGPNVMEOR-NSHDSACASA-N
MW268.36 g/mol
LogP0.62
Rot. Bonds3

About 8-[(2S)-2-hydroxypentanoyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one

8-[(2S)-2-hydroxypentanoyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 136586321) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 8-[(2S)-2-hydroxypentanoyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[(2S)-2-hydroxypentanoyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one
PubChem CID136586321
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name8-[(2S)-2-hydroxypentanoyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one
SMILESCCC[C@H](O)C(=O)N1CCC2(CCN(C)C2=O)CC1
InChIInChI=1S/C14H24N2O3/c1-3-4-11(17)12(18)16-9-6-14(7-10-16)5-8-15(2)13(14)19/h11,17H,3-10H2,1-2H3/t11-/m0/s1
InChIKeyRDBFWVGPNVMEOR-NSHDSACASA-N
XLogP0.62
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[(2S)-2-hydroxypentanoyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[(2S)-2-hydroxypentanoyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one (CID 136586321) is 8-[(2S)-2-hydroxypentanoyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[(2S)-2-hydroxypentanoyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[(2S)-2-hydroxypentanoyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one is CCC[C@H](O)C(=O)N1CCC2(CCN(C)C2=O)CC1.
What is the InChIKey of 8-[(2S)-2-hydroxypentanoyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is RDBFWVGPNVMEOR-NSHDSACASA-N. The full InChI is InChI=1S/C14H24N2O3/c1-3-4-11(17)12(18)16-9-6-14(7-10-16)5-8-15(2)13(14)19/h11,17H,3-10H2,1-2H3/t11-/m0/s1.
What are the key properties of 8-[(2S)-2-hydroxypentanoyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one?
8-[(2S)-2-hydroxypentanoyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 268.36 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2S)-2-hydroxypentanoyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 136586321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).