(2R)-5-(3-cyanoazetidin-1-yl)-2-methyl-5-oxopentanamide

C10H15N3O2 — CID 71236250

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

About (2R)-5-(3-cyanoazetidin-1-yl)-2-methyl-5-oxopentanamide

(2R)-5-(3-cyanoazetidin-1-yl)-2-methyl-5-oxopentanamide (PubChem CID 71236250) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is (2R)-5-(3-cyanoazetidin-1-yl)-2-methyl-5-oxopentanamide.

Molecular Properties

Compound Name(2R)-5-(3-cyanoazetidin-1-yl)-2-methyl-5-oxopentanamide
PubChem CID71236250
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name(2R)-5-(3-cyanoazetidin-1-yl)-2-methyl-5-oxopentanamide
SMILESC[C@H](CCC(=O)N1CC(C#N)C1)C(N)=O
InChIInChI=1S/C10H15N3O2/c1-7(10(12)15)2-3-9(14)13-5-8(4-11)6-13/h7-8H,2-3,5-6H2,1H3,(H2,12,15)/t7-/m1/s1
InChIKeyANECQRRCBYSYJZ-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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Frequently Asked Questions

What is the IUPAC name of (2R)-5-(3-cyanoazetidin-1-yl)-2-methyl-5-oxopentanamide?
The IUPAC name of (2R)-5-(3-cyanoazetidin-1-yl)-2-methyl-5-oxopentanamide (CID 71236250) is (2R)-5-(3-cyanoazetidin-1-yl)-2-methyl-5-oxopentanamide.
What is the SMILES notation for (2R)-5-(3-cyanoazetidin-1-yl)-2-methyl-5-oxopentanamide?
The canonical SMILES for (2R)-5-(3-cyanoazetidin-1-yl)-2-methyl-5-oxopentanamide is C[C@H](CCC(=O)N1CC(C#N)C1)C(N)=O.
What is the InChIKey of (2R)-5-(3-cyanoazetidin-1-yl)-2-methyl-5-oxopentanamide?
The InChIKey is ANECQRRCBYSYJZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7(10(12)15)2-3-9(14)13-5-8(4-11)6-13/h7-8H,2-3,5-6H2,1H3,(H2,12,15)/t7-/m1/s1.
What are the key properties of (2R)-5-(3-cyanoazetidin-1-yl)-2-methyl-5-oxopentanamide?
(2R)-5-(3-cyanoazetidin-1-yl)-2-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 (2R)-5-(3-cyanoazetidin-1-yl)-2-methyl-5-oxopentanamide is sourced from PubChem (CID 71236250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).