2-(azetidin-3-ylidene)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide

C11H20N2O2 — CID 104892322

IUPAC2-(azetidin-3-ylidene)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide
SMILESCC(C(=O)N[C@H](CO)C(C)C)=C1CNC1
InChIInChI=1S/C11H20N2O2/c1-7(2)10(6-14)13-11(15)8(3)9-4-12-5-9/h7,10,12,14H,4-6H2,1-3H3,(H,13,15)/t10-/m1/s1
InChIKeyXYWHYLOSXJAPHA-SNVBAGLBSA-N
MW212.29 g/mol
LogP0.04
Rot. Bonds4

About 2-(azetidin-3-ylidene)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide

2-(azetidin-3-ylidene)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide (PubChem CID 104892322) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide
PubChem CID104892322
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-(azetidin-3-ylidene)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide
SMILESCC(C(=O)N[C@H](CO)C(C)C)=C1CNC1
InChIInChI=1S/C11H20N2O2/c1-7(2)10(6-14)13-11(15)8(3)9-4-12-5-9/h7,10,12,14H,4-6H2,1-3H3,(H,13,15)/t10-/m1/s1
InChIKeyXYWHYLOSXJAPHA-SNVBAGLBSA-N
XLogP0.04
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide (CID 104892322) is 2-(azetidin-3-ylidene)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide is CC(C(=O)N[C@H](CO)C(C)C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide?
The InChIKey is XYWHYLOSXJAPHA-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-7(2)10(6-14)13-11(15)8(3)9-4-12-5-9/h7,10,12,14H,4-6H2,1-3H3,(H,13,15)/t10-/m1/s1.
What are the key properties of 2-(azetidin-3-ylidene)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide?
2-(azetidin-3-ylidene)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide has a molecular weight of 212.29 g/mol, XLogP of 0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide is sourced from PubChem (CID 104892322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).