2-[methyl-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]amino]acetic acid

C11H20N2O5 — CID 138392311

IUPAC2-[methyl-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]amino]acetic acid
SMILESCN(CC(=O)O)CC(=O)NCC(=O)OC(C)(C)C
InChIInChI=1S/C11H20N2O5/c1-11(2,3)18-10(17)5-12-8(14)6-13(4)7-9(15)16/h5-7H2,1-4H3,(H,12,14)(H,15,16)
InChIKeyIXTRAVNFEIZLEO-UHFFFAOYSA-N
MW260.29 g/mol
LogP-0.54
Rot. Bonds6

About 2-[methyl-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]amino]acetic acid

2-[methyl-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]amino]acetic acid (PubChem CID 138392311) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[methyl-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]amino]acetic acid
PubChem CID138392311
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name2-[methyl-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]amino]acetic acid
SMILESCN(CC(=O)O)CC(=O)NCC(=O)OC(C)(C)C
InChIInChI=1S/C11H20N2O5/c1-11(2,3)18-10(17)5-12-8(14)6-13(4)7-9(15)16/h5-7H2,1-4H3,(H,12,14)(H,15,16)
InChIKeyIXTRAVNFEIZLEO-UHFFFAOYSA-N
XLogP-0.54
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]amino]acetic acid (CID 138392311) is 2-[methyl-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]amino]acetic acid is CN(CC(=O)O)CC(=O)NCC(=O)OC(C)(C)C.
What is the InChIKey of 2-[methyl-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]amino]acetic acid?
The InChIKey is IXTRAVNFEIZLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-11(2,3)18-10(17)5-12-8(14)6-13(4)7-9(15)16/h5-7H2,1-4H3,(H,12,14)(H,15,16).
What are the key properties of 2-[methyl-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]amino]acetic acid?
2-[methyl-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]amino]acetic acid has a molecular weight of 260.29 g/mol, XLogP of -0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 138392311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).