ethyl 2-[(2-bromo-2-methylpropanoyl)-(2-methoxyethyl)amino]acetate

C11H20BrNO4 — CID 114328195

IUPACethyl 2-[(2-bromo-2-methylpropanoyl)-(2-methoxyethyl)amino]acetate
SMILESCCOC(=O)CN(CCOC)C(=O)C(C)(C)Br
InChIInChI=1S/C11H20BrNO4/c1-5-17-9(14)8-13(6-7-16-4)10(15)11(2,3)12/h5-8H2,1-4H3
InChIKeyCKLFKNQLVVTULV-UHFFFAOYSA-N
MW310.19 g/mol
LogP1.20
Rot. Bonds7

About ethyl 2-[(2-bromo-2-methylpropanoyl)-(2-methoxyethyl)amino]acetate

ethyl 2-[(2-bromo-2-methylpropanoyl)-(2-methoxyethyl)amino]acetate (PubChem CID 114328195) has the molecular formula C11H20BrNO4 and a molecular weight of 310.19 g/mol. Its IUPAC name is ethyl 2-[(2-bromo-2-methylpropanoyl)-(2-methoxyethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-bromo-2-methylpropanoyl)-(2-methoxyethyl)amino]acetate
PubChem CID114328195
Molecular FormulaC11H20BrNO4
Molecular Weight310.19 g/mol
Exact Mass309.06
IUPAC Nameethyl 2-[(2-bromo-2-methylpropanoyl)-(2-methoxyethyl)amino]acetate
SMILESCCOC(=O)CN(CCOC)C(=O)C(C)(C)Br
InChIInChI=1S/C11H20BrNO4/c1-5-17-9(14)8-13(6-7-16-4)10(15)11(2,3)12/h5-8H2,1-4H3
InChIKeyCKLFKNQLVVTULV-UHFFFAOYSA-N
XLogP1.20
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[(2-amino-2-methylbutanoyl)-(2-methoxyethyl)amino]acetate
CID 79804892
2-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylpropanamide
CID 114329141
ethyl 2-[2-methoxyethyl(prop-2-enoyl)amino]acetate
CID 60948673
ethyl 2-[(2,2-difluoroacetyl)-(2-methoxyethyl)amino]acetate
CID 103515014
2-bromo-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)propanamide
CID 114328153
ethyl 2-[2-aminobutanoyl(2-methoxyethyl)amino]acetate
CID 54871563
ethyl 2-[(2-aminobenzoyl)-(2-methoxyethyl)amino]acetate
CID 60958970
ethyl 2-[5-chloropentanoyl(2-methoxyethyl)amino]acetate
CID 54875632
ethyl 2-[(3,5-dihydroxybenzoyl)-(2-methoxyethyl)amino]acetate
CID 103892104
ethyl 2-[(4-amino-1-methylpyrrole-2-carbonyl)-(2-methoxyethyl)amino]acetate
CID 61108695
ethyl 2-[2-(aminomethyl)butanoyl-(2-methoxyethyl)amino]acetate
CID 65227093
ethane;ethyl 2-[ethyl(2-methoxyethyl)amino]acetate
CID 156838372

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-bromo-2-methylpropanoyl)-(2-methoxyethyl)amino]acetate?
The IUPAC name of ethyl 2-[(2-bromo-2-methylpropanoyl)-(2-methoxyethyl)amino]acetate (CID 114328195) is ethyl 2-[(2-bromo-2-methylpropanoyl)-(2-methoxyethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(2-bromo-2-methylpropanoyl)-(2-methoxyethyl)amino]acetate?
The canonical SMILES for ethyl 2-[(2-bromo-2-methylpropanoyl)-(2-methoxyethyl)amino]acetate is CCOC(=O)CN(CCOC)C(=O)C(C)(C)Br.
What is the InChIKey of ethyl 2-[(2-bromo-2-methylpropanoyl)-(2-methoxyethyl)amino]acetate?
The InChIKey is CKLFKNQLVVTULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO4/c1-5-17-9(14)8-13(6-7-16-4)10(15)11(2,3)12/h5-8H2,1-4H3.
What are the key properties of ethyl 2-[(2-bromo-2-methylpropanoyl)-(2-methoxyethyl)amino]acetate?
ethyl 2-[(2-bromo-2-methylpropanoyl)-(2-methoxyethyl)amino]acetate has a molecular weight of 310.19 g/mol, XLogP of 1.20, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-bromo-2-methylpropanoyl)-(2-methoxyethyl)amino]acetate is sourced from PubChem (CID 114328195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).