3-[[1-methoxy-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]azetidine-1-carboxylic acid

C11H20N2O5 — CID 142729241

IUPAC3-[[1-methoxy-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]azetidine-1-carboxylic acid
SMILESCOC(NC1CN(C(=O)O)C1)C(=O)OC(C)(C)C
InChIInChI=1S/C11H20N2O5/c1-11(2,3)18-9(14)8(17-4)12-7-5-13(6-7)10(15)16/h7-8,12H,5-6H2,1-4H3,(H,15,16)
InChIKeyNYVBTSKQDRPYON-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.25
Rot. Bonds4

About 3-[[1-methoxy-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]azetidine-1-carboxylic acid

3-[[1-methoxy-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]azetidine-1-carboxylic acid (PubChem CID 142729241) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-[[1-methoxy-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]azetidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[[1-methoxy-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]azetidine-1-carboxylic acid
PubChem CID142729241
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name3-[[1-methoxy-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]azetidine-1-carboxylic acid
SMILESCOC(NC1CN(C(=O)O)C1)C(=O)OC(C)(C)C
InChIInChI=1S/C11H20N2O5/c1-11(2,3)18-9(14)8(17-4)12-7-5-13(6-7)10(15)16/h7-8,12H,5-6H2,1-4H3,(H,15,16)
InChIKeyNYVBTSKQDRPYON-UHFFFAOYSA-N
XLogP0.25
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-methoxy-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]azetidine-1-carboxylic acid?
The IUPAC name of 3-[[1-methoxy-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]azetidine-1-carboxylic acid (CID 142729241) is 3-[[1-methoxy-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]azetidine-1-carboxylic acid.
What is the SMILES notation for 3-[[1-methoxy-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]azetidine-1-carboxylic acid?
The canonical SMILES for 3-[[1-methoxy-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]azetidine-1-carboxylic acid is COC(NC1CN(C(=O)O)C1)C(=O)OC(C)(C)C.
What is the InChIKey of 3-[[1-methoxy-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]azetidine-1-carboxylic acid?
The InChIKey is NYVBTSKQDRPYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-11(2,3)18-9(14)8(17-4)12-7-5-13(6-7)10(15)16/h7-8,12H,5-6H2,1-4H3,(H,15,16).
What are the key properties of 3-[[1-methoxy-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]azetidine-1-carboxylic acid?
3-[[1-methoxy-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]azetidine-1-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-methoxy-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]azetidine-1-carboxylic acid is sourced from PubChem (CID 142729241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).