2-[(2-bromo-2-methylpropanoyl)amino]ethyl 2-methylpropanoate

C10H18BrNO3 — CID 176959577

IUPAC2-[(2-bromo-2-methylpropanoyl)amino]ethyl 2-methylpropanoate
SMILESCC(C)C(=O)OCCNC(=O)C(C)(C)Br
InChIInChI=1S/C10H18BrNO3/c1-7(2)8(13)15-6-5-12-9(14)10(3,4)11/h7H,5-6H2,1-4H3,(H,12,14)
InChIKeyTXOLCSVBCKRQGE-UHFFFAOYSA-N
MW280.16 g/mol
LogP1.48
Rot. Bonds5

About 2-[(2-bromo-2-methylpropanoyl)amino]ethyl 2-methylpropanoate

2-[(2-bromo-2-methylpropanoyl)amino]ethyl 2-methylpropanoate (PubChem CID 176959577) has the molecular formula C10H18BrNO3 and a molecular weight of 280.16 g/mol. Its IUPAC name is 2-[(2-bromo-2-methylpropanoyl)amino]ethyl 2-methylpropanoate.

Molecular Properties

Compound Name2-[(2-bromo-2-methylpropanoyl)amino]ethyl 2-methylpropanoate
PubChem CID176959577
Molecular FormulaC10H18BrNO3
Molecular Weight280.16 g/mol
Exact Mass279.05
IUPAC Name2-[(2-bromo-2-methylpropanoyl)amino]ethyl 2-methylpropanoate
SMILESCC(C)C(=O)OCCNC(=O)C(C)(C)Br
InChIInChI=1S/C10H18BrNO3/c1-7(2)8(13)15-6-5-12-9(14)10(3,4)11/h7H,5-6H2,1-4H3,(H,12,14)
InChIKeyTXOLCSVBCKRQGE-UHFFFAOYSA-N
XLogP1.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.16
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-bromo-2-methylpropanoyl)amino]ethyl carbamate
CID 114329061
2-(ethylcarbamoylamino)ethyl 2-methylpropanoate
CID 71876541
2-bromo-N-(2-hydroxyethyl)-2-methylpropanamide
CID 51711451
2-[(2-bromo-2-methylpropanoyl)amino]ethylazanium
CID 102380329
2-(butylcarbamoylamino)ethyl 2-methylpropanoate
CID 176996769
2-anilinoethyl 2-methylpropanoate
CID 20975992
2-(2-methylpropylamino)ethyl 2-methylpropanoate
CID 137470797
2-bromo-N-(3-hydroxypentyl)-2-methylpropanamide
CID 89235308
2-bromo-2-methyl-N-propan-2-yloxypropanamide
CID 131182028
2-bromo-N-but-3-ynyl-2-methylpropanamide
CID 114328738
2-bromo-N-but-3-enyl-2-methylpropanamide
CID 114329137
2-(2-methylpropanoylamino)ethyl 2,3-dimethylbutanoate
CID 130305252

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-2-methylpropanoyl)amino]ethyl 2-methylpropanoate?
The IUPAC name of 2-[(2-bromo-2-methylpropanoyl)amino]ethyl 2-methylpropanoate (CID 176959577) is 2-[(2-bromo-2-methylpropanoyl)amino]ethyl 2-methylpropanoate.
What is the SMILES notation for 2-[(2-bromo-2-methylpropanoyl)amino]ethyl 2-methylpropanoate?
The canonical SMILES for 2-[(2-bromo-2-methylpropanoyl)amino]ethyl 2-methylpropanoate is CC(C)C(=O)OCCNC(=O)C(C)(C)Br.
What is the InChIKey of 2-[(2-bromo-2-methylpropanoyl)amino]ethyl 2-methylpropanoate?
The InChIKey is TXOLCSVBCKRQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO3/c1-7(2)8(13)15-6-5-12-9(14)10(3,4)11/h7H,5-6H2,1-4H3,(H,12,14).
What are the key properties of 2-[(2-bromo-2-methylpropanoyl)amino]ethyl 2-methylpropanoate?
2-[(2-bromo-2-methylpropanoyl)amino]ethyl 2-methylpropanoate has a molecular weight of 280.16 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-2-methylpropanoyl)amino]ethyl 2-methylpropanoate is sourced from PubChem (CID 176959577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).