2-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethoxy]acetic acid

C11H20N2O5 — CID 61329426

IUPAC2-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethoxy]acetic acid
SMILESCN(CC(=O)NC(C)(C)C)C(=O)COCC(=O)O
InChIInChI=1S/C11H20N2O5/c1-11(2,3)12-8(14)5-13(4)9(15)6-18-7-10(16)17/h5-7H2,1-4H3,(H,12,14)(H,16,17)
InChIKeySNPPBRYFQAAFGI-UHFFFAOYSA-N
MW260.29 g/mol
LogP-0.54
Rot. Bonds6

About 2-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethoxy]acetic acid

2-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethoxy]acetic acid (PubChem CID 61329426) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethoxy]acetic acid
PubChem CID61329426
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name2-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethoxy]acetic acid
SMILESCN(CC(=O)NC(C)(C)C)C(=O)COCC(=O)O
InChIInChI=1S/C11H20N2O5/c1-11(2,3)12-8(14)5-13(4)9(15)6-18-7-10(16)17/h5-7H2,1-4H3,(H,12,14)(H,16,17)
InChIKeySNPPBRYFQAAFGI-UHFFFAOYSA-N
XLogP-0.54
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
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 ≤ 104

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Related Compounds

2-[2-[[2-(ethylamino)-2-oxoethyl]-methylamino]-2-oxoethoxy]acetic acid
CID 61327311
6-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-6-oxohexanoic acid
CID 54874830
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-oxobutanamide
CID 60951663
N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbutanamide
CID 60717641
2-[2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethoxy]acetic acid
CID 115538733
N-tert-butyl-2-[methyl-[2-(2,4,6-trimethylphenoxy)acetyl]amino]acetamide
CID 24660351
2-[[2-(4-anilinophenoxy)acetyl]-methylamino]-N-tert-butylacetamide
CID 18110379
N-tert-butyl-2-[methyl-[2-(2,4,5-trichlorophenoxy)acetyl]amino]acetamide
CID 9343613
4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbutanamide
CID 60936943
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] adamantane-1-carboxylate
CID 9017841
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-methylpentanoylamino)acetate
CID 56519548
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 9228937

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethoxy]acetic acid (CID 61329426) is 2-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethoxy]acetic acid is CN(CC(=O)NC(C)(C)C)C(=O)COCC(=O)O.
What is the InChIKey of 2-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethoxy]acetic acid?
The InChIKey is SNPPBRYFQAAFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-11(2,3)12-8(14)5-13(4)9(15)6-18-7-10(16)17/h5-7H2,1-4H3,(H,12,14)(H,16,17).
What are the key properties of 2-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethoxy]acetic acid?
2-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethoxy]acetic acid has a molecular weight of 260.29 g/mol, XLogP of -0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 61329426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).