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2-Dibenzylamino-3-hydroxy-3-methyl-butyric acid ethyl ester

HCID 14824486
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)C(N(Cc1ccccc1)Cc1ccccc1)C(C)(C)O
InChIKey
KLZLDHPLAJUTKX-UHFFFAOYSA-N
Molecular formula
C21H27NO3
Average molar mass
341.4 g/mol
Monoisotopic mass
341.19909372

Names & identifiers

Preferred name
2-Dibenzylamino-3-hydroxy-3-methyl-butyric acid ethyl ester
IUPAC
ethyl 2-(dibenzylamino)-3-hydroxy-3-methylbutanoate

Names & synonyms

SCHEMBL1562403KLZLDHPLAJUTKX-UHFFFAOYSA-N2-dibenzylamino-3-hydroxy-3-methyl-butyric acid ethyl ester

Database identifiers

PubChem CID
14824486

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
49.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
9
Heavy atoms
25
Formal charge
0
Complexity
378

Related reactions

4 records
New reaction record
HRID 805396 reaction equation
HRID 805396As productTest data from https://doi.org/10.1039/C8SC04228D
HRID 1237795 reaction equation
HRID 1237795As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1348638 reaction equation
HRID 1348638As productuspto-grants-2007_05
HRID 1348639 reaction equation
HRID 1348639As reactantuspto-grants-2007_05

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes