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(S)-2-amino-3-methyl-butyric acid N-[2-(3,4-dimethoxyphenyl)-ethyl]-amide

HCID 11065837
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
COc1ccc(CCNC(=O)[C@@H](N)C(C)C)cc1OC
InChIKey
IDMSQIXIKADGPR-AWEZNQCLSA-N
Molecular formula
C15H24N2O3
Average molar mass
280.36 g/mol

Names & identifiers

Preferred name
(S)-2-amino-3-methyl-butyric acid N-[2-(3,4-dimethoxyphenyl)-ethyl]-amide
IUPAC
(2S)-2-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylbutanamide

Names & synonyms

SCHEMBL8378142IDMSQIXIKADGPR-AWEZNQCLSA-NAKOS010392741(S)-2-amino-3-methyl-butyric acid N-[2-(3,4-dimethoxyphenyl)-ethyl]-amide

Database identifiers

PubChem CID
11065837

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
73.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
20
Formal charge
0
Complexity
297

Related reactions

1 records
New reaction record
HRID 2388 reaction equation
HRID 2388As reactantuspto-grants-1998_03

Compound notes

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