N-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-N-methylacetamide

C8H14N2O3 — CID 63105671

IUPACN-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-N-methylacetamide
SMILESCC(=O)N(C)CC(=O)N1CC(O)C1
InChIInChI=1S/C8H14N2O3/c1-6(11)9(2)5-8(13)10-3-7(12)4-10/h7,12H,3-5H2,1-2H3
InChIKeyLHBDSDUXTKWRHR-UHFFFAOYSA-N
MW186.21 g/mol
LogP-1.33
Rot. Bonds2

About N-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-N-methylacetamide

N-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-N-methylacetamide (PubChem CID 63105671) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is N-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-N-methylacetamide
PubChem CID63105671
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC NameN-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-N-methylacetamide
SMILESCC(=O)N(C)CC(=O)N1CC(O)C1
InChIInChI=1S/C8H14N2O3/c1-6(11)9(2)5-8(13)10-3-7(12)4-10/h7,12H,3-5H2,1-2H3
InChIKeyLHBDSDUXTKWRHR-UHFFFAOYSA-N
XLogP-1.33
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-1.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]-N-methylacetamide
CID 106671584
N-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-N-methylacetamide
CID 114679928
N-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]-N-methylacetamide
CID 66052971
methyl 1-[2-[acetyl(methyl)amino]acetyl]piperidine-3-carboxylate
CID 78919197
1-(3-hydroxyazetidin-1-yl)-2-iodoethanone
CID 89036981
2-[2-[acetyl(methyl)amino]acetyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 65262849
N-[2-(3-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-N-methylacetamide
CID 115874792
N-[3-(3-hydroxyazetidin-1-yl)-3-oxopropyl]acetamide
CID 63107332
2-chloro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-methylacetamide
CID 146094477
3-amino-1-(3-hydroxyazetidin-1-yl)propan-1-one
CID 53409663
N-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide
CID 63105109
2-(diethylamino)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 111560906

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-N-methylacetamide?
The IUPAC name of N-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-N-methylacetamide (CID 63105671) is N-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-N-methylacetamide.
What is the SMILES notation for N-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-N-methylacetamide?
The canonical SMILES for N-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-N-methylacetamide is CC(=O)N(C)CC(=O)N1CC(O)C1.
What is the InChIKey of N-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-N-methylacetamide?
The InChIKey is LHBDSDUXTKWRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-6(11)9(2)5-8(13)10-3-7(12)4-10/h7,12H,3-5H2,1-2H3.
What are the key properties of N-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-N-methylacetamide?
N-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-N-methylacetamide has a molecular weight of 186.21 g/mol, XLogP of -1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-N-methylacetamide is sourced from PubChem (CID 63105671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).