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[2-oxo-1-(propylcarbamoyl)azepan-3-yl]carbamic acid (HCID 178457909)|Huagongshe
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Compound
[2-oxo-1-(propylcarbamoyl)azepan-3-yl]carbamic acid
HCID
178457909
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Properties
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Compound notes
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Basic information
Standard SMILES
CCCNC(=O)N1CCCCC(NC(=O)O)C1=O
InChIKey
YTPABQZXSZYPCU-UHFFFAOYSA-N
Molecular formula
C11H19N3O4
Average molar mass
257.29 g/mol
Monoisotopic mass
257.1375561
Names & identifiers
IUPAC
[2-oxo-1-(propylcarbamoyl)azepan-3-yl]carbamic acid
Database identifiers
PubChem CID
21101883
Properties
Computed structural properties
XLogP
1.1
Topological polar surface area
98.7 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
18
Formal charge
0
Complexity
332
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1 records
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As solvent
HRID
675401
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Compound notes
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