2-[3-methyl-1-[2-methyl-3-(methylamino)propanoyl]azetidin-3-yl]oxyacetic acid

C11H20N2O4 — CID 102658178

IUPAC2-[3-methyl-1-[2-methyl-3-(methylamino)propanoyl]azetidin-3-yl]oxyacetic acid
SMILESCNCC(C)C(=O)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C11H20N2O4/c1-8(4-12-3)10(16)13-6-11(2,7-13)17-5-9(14)15/h8,12H,4-7H2,1-3H3,(H,14,15)
InChIKeyZLRXLLGQHLFMHK-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.46
Rot. Bonds6

About 2-[3-methyl-1-[2-methyl-3-(methylamino)propanoyl]azetidin-3-yl]oxyacetic acid

2-[3-methyl-1-[2-methyl-3-(methylamino)propanoyl]azetidin-3-yl]oxyacetic acid (PubChem CID 102658178) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[3-methyl-1-[2-methyl-3-(methylamino)propanoyl]azetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[3-methyl-1-[2-methyl-3-(methylamino)propanoyl]azetidin-3-yl]oxyacetic acid
PubChem CID102658178
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2-[3-methyl-1-[2-methyl-3-(methylamino)propanoyl]azetidin-3-yl]oxyacetic acid
SMILESCNCC(C)C(=O)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C11H20N2O4/c1-8(4-12-3)10(16)13-6-11(2,7-13)17-5-9(14)15/h8,12H,4-7H2,1-3H3,(H,14,15)
InChIKeyZLRXLLGQHLFMHK-UHFFFAOYSA-N
XLogP-0.46
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-1-[2-methyl-3-(methylamino)propanoyl]azetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[3-methyl-1-[2-methyl-3-(methylamino)propanoyl]azetidin-3-yl]oxyacetic acid (CID 102658178) is 2-[3-methyl-1-[2-methyl-3-(methylamino)propanoyl]azetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[3-methyl-1-[2-methyl-3-(methylamino)propanoyl]azetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[3-methyl-1-[2-methyl-3-(methylamino)propanoyl]azetidin-3-yl]oxyacetic acid is CNCC(C)C(=O)N1CC(C)(OCC(=O)O)C1.
What is the InChIKey of 2-[3-methyl-1-[2-methyl-3-(methylamino)propanoyl]azetidin-3-yl]oxyacetic acid?
The InChIKey is ZLRXLLGQHLFMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-8(4-12-3)10(16)13-6-11(2,7-13)17-5-9(14)15/h8,12H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 2-[3-methyl-1-[2-methyl-3-(methylamino)propanoyl]azetidin-3-yl]oxyacetic acid?
2-[3-methyl-1-[2-methyl-3-(methylamino)propanoyl]azetidin-3-yl]oxyacetic acid has a molecular weight of 244.29 g/mol, XLogP of -0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-1-[2-methyl-3-(methylamino)propanoyl]azetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102658178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).