N-[(3S)-1-hydroxy-2-methyl-4-oxoazetidin-3-yl]-2,6-dimethoxybenzamide

C13H16N2O5 — CID 70481443

IUPACN-[(3S)-1-hydroxy-2-methyl-4-oxoazetidin-3-yl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)N[C@@H]1C(=O)N(O)C1C
InChIInChI=1S/C13H16N2O5/c1-7-11(13(17)15(7)18)14-12(16)10-8(19-2)5-4-6-9(10)20-3/h4-7,11,18H,1-3H3,(H,14,16)/t7?,11-/m0/s1
InChIKeySLWHTCHZYVUACL-QRIDDKLISA-N
MW280.28 g/mol
LogP0.42
Rot. Bonds4

About N-[(3S)-1-hydroxy-2-methyl-4-oxoazetidin-3-yl]-2,6-dimethoxybenzamide

N-[(3S)-1-hydroxy-2-methyl-4-oxoazetidin-3-yl]-2,6-dimethoxybenzamide (PubChem CID 70481443) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is N-[(3S)-1-hydroxy-2-methyl-4-oxoazetidin-3-yl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(3S)-1-hydroxy-2-methyl-4-oxoazetidin-3-yl]-2,6-dimethoxybenzamide
PubChem CID70481443
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC NameN-[(3S)-1-hydroxy-2-methyl-4-oxoazetidin-3-yl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)N[C@@H]1C(=O)N(O)C1C
InChIInChI=1S/C13H16N2O5/c1-7-11(13(17)15(7)18)14-12(16)10-8(19-2)5-4-6-9(10)20-3/h4-7,11,18H,1-3H3,(H,14,16)/t7?,11-/m0/s1
InChIKeySLWHTCHZYVUACL-QRIDDKLISA-N
XLogP0.42
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-hydroxy-2-methyl-4-oxoazetidin-3-yl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[(3S)-1-hydroxy-2-methyl-4-oxoazetidin-3-yl]-2,6-dimethoxybenzamide (CID 70481443) is N-[(3S)-1-hydroxy-2-methyl-4-oxoazetidin-3-yl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[(3S)-1-hydroxy-2-methyl-4-oxoazetidin-3-yl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[(3S)-1-hydroxy-2-methyl-4-oxoazetidin-3-yl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)N[C@@H]1C(=O)N(O)C1C.
What is the InChIKey of N-[(3S)-1-hydroxy-2-methyl-4-oxoazetidin-3-yl]-2,6-dimethoxybenzamide?
The InChIKey is SLWHTCHZYVUACL-QRIDDKLISA-N. The full InChI is InChI=1S/C13H16N2O5/c1-7-11(13(17)15(7)18)14-12(16)10-8(19-2)5-4-6-9(10)20-3/h4-7,11,18H,1-3H3,(H,14,16)/t7?,11-/m0/s1.
What are the key properties of N-[(3S)-1-hydroxy-2-methyl-4-oxoazetidin-3-yl]-2,6-dimethoxybenzamide?
N-[(3S)-1-hydroxy-2-methyl-4-oxoazetidin-3-yl]-2,6-dimethoxybenzamide has a molecular weight of 280.28 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-hydroxy-2-methyl-4-oxoazetidin-3-yl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 70481443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).