2-[1-(2-acetamidoacetyl)-3-methylazetidin-3-yl]oxyacetic acid

C10H16N2O5 — CID 102657387

IUPAC2-[1-(2-acetamidoacetyl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC(=O)NCC(=O)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C10H16N2O5/c1-7(13)11-3-8(14)12-5-10(2,6-12)17-4-9(15)16/h3-6H2,1-2H3,(H,11,13)(H,15,16)
InChIKeyFAPOEOSZTYVXPJ-UHFFFAOYSA-N
MW244.25 g/mol
LogP-1.18
Rot. Bonds5

About 2-[1-(2-acetamidoacetyl)-3-methylazetidin-3-yl]oxyacetic acid

2-[1-(2-acetamidoacetyl)-3-methylazetidin-3-yl]oxyacetic acid (PubChem CID 102657387) has the molecular formula C10H16N2O5 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-[1-(2-acetamidoacetyl)-3-methylazetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(2-acetamidoacetyl)-3-methylazetidin-3-yl]oxyacetic acid
PubChem CID102657387
Molecular FormulaC10H16N2O5
Molecular Weight244.25 g/mol
Exact Mass244.11
IUPAC Name2-[1-(2-acetamidoacetyl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC(=O)NCC(=O)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C10H16N2O5/c1-7(13)11-3-8(14)12-5-10(2,6-12)17-4-9(15)16/h3-6H2,1-2H3,(H,11,13)(H,15,16)
InChIKeyFAPOEOSZTYVXPJ-UHFFFAOYSA-N
XLogP-1.18
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-acetamidoacetyl)-3-methylazetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-(2-acetamidoacetyl)-3-methylazetidin-3-yl]oxyacetic acid (CID 102657387) is 2-[1-(2-acetamidoacetyl)-3-methylazetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(2-acetamidoacetyl)-3-methylazetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(2-acetamidoacetyl)-3-methylazetidin-3-yl]oxyacetic acid is CC(=O)NCC(=O)N1CC(C)(OCC(=O)O)C1.
What is the InChIKey of 2-[1-(2-acetamidoacetyl)-3-methylazetidin-3-yl]oxyacetic acid?
The InChIKey is FAPOEOSZTYVXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5/c1-7(13)11-3-8(14)12-5-10(2,6-12)17-4-9(15)16/h3-6H2,1-2H3,(H,11,13)(H,15,16).
What are the key properties of 2-[1-(2-acetamidoacetyl)-3-methylazetidin-3-yl]oxyacetic acid?
2-[1-(2-acetamidoacetyl)-3-methylazetidin-3-yl]oxyacetic acid has a molecular weight of 244.25 g/mol, XLogP of -1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-acetamidoacetyl)-3-methylazetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102657387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).