2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]acetamide

C13H21N3O3 — CID 171080897

IUPAC2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]acetamide
SMILESCC(C)C(=O)N1CCCCC12CN(CC(N)=O)C2=O
InChIInChI=1S/C13H21N3O3/c1-9(2)11(18)16-6-4-3-5-13(16)8-15(12(13)19)7-10(14)17/h9H,3-8H2,1-2H3,(H2,14,17)
InChIKeyQMVYWQXUVNVCIL-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.28
Rot. Bonds3

About 2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]acetamide

2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]acetamide (PubChem CID 171080897) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]acetamide.

Molecular Properties

Compound Name2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]acetamide
PubChem CID171080897
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]acetamide
SMILESCC(C)C(=O)N1CCCCC12CN(CC(N)=O)C2=O
InChIInChI=1S/C13H21N3O3/c1-9(2)11(18)16-6-4-3-5-13(16)8-15(12(13)19)7-10(14)17/h9H,3-8H2,1-2H3,(H2,14,17)
InChIKeyQMVYWQXUVNVCIL-UHFFFAOYSA-N
XLogP-0.28
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]-3-sulfanylpropanamide
CID 171080838
2-[1-[(2R)-2-amino-3-sulfanylpropanoyl]-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]acetamide
CID 134243496
2-[[2-(5-acetyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)acetyl]amino]-3-methylbutanamide
CID 134486903
[3-hydroxy-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoyl]azanium
CID 148619155
(2S,3R)-2-[5-[(2S,3R)-2-amino-3-hydroxybutanoyl]-3-oxo-2,5-diazaspiro[3.6]decan-2-yl]-3-hydroxybutanamide
CID 171080731
tert-butyl 2-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-2-oxoethyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
CID 134486910
benzyl (2S)-2-[(4R)-5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]propanoate
CID 156702889
(2S,3R)-3-hydroxy-2-[5-[(3R)-3-hydroxybutanoyl]-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]butanamide
CID 171080700
(2R)-2-(5-acetyl-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl)-3-sulfanylpropanamide
CID 171080666
1-(2-methylpropanoyl)-2-propylpyrrolidine-2-carboxamide
CID 175079605
(2R)-1-(2-methylpropanoyl)-2-propylpyrrolidine-2-carboxamide
CID 158485166
tert-butyl 2-(2-amino-2-oxoethyl)-5-[4-[2-(2-amino-2-oxoethyl)-3-hydroxy-5-(2-methylpropanoyl)-2,5,8-triazaspiro[3.5]nonane-8-carbonyl]oxy-4-methylpentanoyl]-3-oxo-2,5,8-triazaspiro[3.5]nonane-8-carboxylate
CID 134241878

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]acetamide?
The IUPAC name of 2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]acetamide (CID 171080897) is 2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]acetamide.
What is the SMILES notation for 2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]acetamide?
The canonical SMILES for 2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]acetamide is CC(C)C(=O)N1CCCCC12CN(CC(N)=O)C2=O.
What is the InChIKey of 2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]acetamide?
The InChIKey is QMVYWQXUVNVCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-9(2)11(18)16-6-4-3-5-13(16)8-15(12(13)19)7-10(14)17/h9H,3-8H2,1-2H3,(H2,14,17).
What are the key properties of 2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]acetamide?
2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]acetamide has a molecular weight of 267.33 g/mol, XLogP of -0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]acetamide is sourced from PubChem (CID 171080897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).