(3R)-5-(3-cyanoazetidin-1-yl)-3-methyl-5-oxopentanamide

C10H15N3O2 — CID 71236251

IUPAC(3R)-5-(3-cyanoazetidin-1-yl)-3-methyl-5-oxopentanamide
SMILESC[C@H](CC(N)=O)CC(=O)N1CC(C#N)C1
InChIInChI=1S/C10H15N3O2/c1-7(2-9(12)14)3-10(15)13-5-8(4-11)6-13/h7-8H,2-3,5-6H2,1H3,(H2,12,14)/t7-/m1/s1
InChIKeyGFKLTOGBHBNRCZ-SSDOTTSWSA-N
MW209.25 g/mol
LogP-0.13
Rot. Bonds4

About (3R)-5-(3-cyanoazetidin-1-yl)-3-methyl-5-oxopentanamide

(3R)-5-(3-cyanoazetidin-1-yl)-3-methyl-5-oxopentanamide (PubChem CID 71236251) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is (3R)-5-(3-cyanoazetidin-1-yl)-3-methyl-5-oxopentanamide.

Molecular Properties

Compound Name(3R)-5-(3-cyanoazetidin-1-yl)-3-methyl-5-oxopentanamide
PubChem CID71236251
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name(3R)-5-(3-cyanoazetidin-1-yl)-3-methyl-5-oxopentanamide
SMILESC[C@H](CC(N)=O)CC(=O)N1CC(C#N)C1
InChIInChI=1S/C10H15N3O2/c1-7(2-9(12)14)3-10(15)13-5-8(4-11)6-13/h7-8H,2-3,5-6H2,1H3,(H2,12,14)/t7-/m1/s1
InChIKeyGFKLTOGBHBNRCZ-SSDOTTSWSA-N
XLogP-0.13
TPSA87.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-5-(4-cyanopiperidin-1-yl)-3-methyl-5-oxopentanamide
CID 71236530
1-(3-methylbutanoyl)azetidine-3-carbonitrile
CID 118034293
(2R)-5-(3-cyanoazetidin-1-yl)-2-methyl-5-oxopentanamide
CID 71236250
1-(3-methylpentanoyl)piperidine-3-carbonitrile
CID 114874755
5-(3,4-dimethylpyrrolidin-1-yl)-3-methyl-5-oxopentanoic acid
CID 79187870
2-[1-(4-amino-3-methylbutanoyl)azetidin-3-yl]propanoic acid
CID 116682344
5-(2-cyanomorpholin-4-yl)-3-methyl-5-oxopentanoic acid
CID 79674093
1-(2,2-dimethylpropanoyl)azetidine-3-carbonitrile
CID 89411153
(3R)-5-amino-3-methyl-5-oxopentanoic acid
CID 55285544
5-[3-(aminomethyl)pyrrolidin-1-yl]-3-methyl-5-oxopentanoic acid
CID 62963898
4-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one
CID 81080868
5-(4-benzhydrylpiperazin-1-yl)-3-methyl-5-oxopentanamide
CID 70074590

Frequently Asked Questions

What is the IUPAC name of (3R)-5-(3-cyanoazetidin-1-yl)-3-methyl-5-oxopentanamide?
The IUPAC name of (3R)-5-(3-cyanoazetidin-1-yl)-3-methyl-5-oxopentanamide (CID 71236251) is (3R)-5-(3-cyanoazetidin-1-yl)-3-methyl-5-oxopentanamide.
What is the SMILES notation for (3R)-5-(3-cyanoazetidin-1-yl)-3-methyl-5-oxopentanamide?
The canonical SMILES for (3R)-5-(3-cyanoazetidin-1-yl)-3-methyl-5-oxopentanamide is C[C@H](CC(N)=O)CC(=O)N1CC(C#N)C1.
What is the InChIKey of (3R)-5-(3-cyanoazetidin-1-yl)-3-methyl-5-oxopentanamide?
The InChIKey is GFKLTOGBHBNRCZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7(2-9(12)14)3-10(15)13-5-8(4-11)6-13/h7-8H,2-3,5-6H2,1H3,(H2,12,14)/t7-/m1/s1.
What are the key properties of (3R)-5-(3-cyanoazetidin-1-yl)-3-methyl-5-oxopentanamide?
(3R)-5-(3-cyanoazetidin-1-yl)-3-methyl-5-oxopentanamide has a molecular weight of 209.25 g/mol, XLogP of -0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-(3-cyanoazetidin-1-yl)-3-methyl-5-oxopentanamide is sourced from PubChem (CID 71236251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).