(2~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)butanediamide
(2S)-2-acetamido-N-(3-bromoprop-2-ynyl)butanediamide
Molecular Identity
(2~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)butanediamide
(2S)-2-acetamido-N-(3-bromoprop-2-ynyl)butanediamide
PubChem CID: 165430634
2D Structure
Properties
C9H12BrN3O3
Molecular Formula
290.11
Molecular Weight
g/mol
289.0062
Exact Mass
Da
-0.9
XLogP
Drug-like (Lipinski: < 5)
101
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
3
H-Bond Acceptors
356
Complexity
SMILES
Canonical SMILES
SMILES: CC(=O)NC(CC(=O)N)C(=O)NCC#CBrIsomeric SMILES
SMILES: CC(=O)N[C@@H](CC(=O)N)C(=O)NCC#CBrSynonyms(2)
(2~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)butanediamideIIV
Data from PubChem (NCBI)
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Molecular Structure
(2~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)butanediamide
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Drug Network
Trials and conditions connected to (2~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)butanediamide
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