Rac-2-(tert-butoxycarbonylamino-methyl)-3-(7-fluoro-2-methoxy-quinolin-8-yl)-propionic acid ethyl ester

HCID 67181701
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Basic information

Standard SMILES
CCOC(=O)C(CNC(=O)OC(C)(C)C)Cc1c(F)ccc2ccc(OC)nc12
InChIKey
XHQUZPPBHGXWPO-UHFFFAOYSA-N
Molecular formula
C21H27FN2O5
Average molar mass
406.4 g/mol

Names & identifiers

Preferred name
Rac-2-(tert-butoxycarbonylamino-methyl)-3-(7-fluoro-2-methoxy-quinolin-8-yl)-propionic acid ethyl ester
IUPAC
ethyl 2-[(7-fluoro-2-methoxyquinolin-8-yl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Names & synonyms

SCHEMBL1840716XHQUZPPBHGXWPO-UHFFFAOYSA-N(2RS)-2-(tert-butoxycarbonylamino-methyl)-3-(7-fluoro-2-methoxy-quinolin-8-yl)-propionic acid ethyl esterrac-2-(tert-butoxycarbonylamino-methyl)-3-(7-fluoro-2-methoxy-quinolin-8-yl)-propionic acid ethyl ester

Database identifiers

PubChem CID
67181701

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
86.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
10
Heavy atoms
29

Related reactions

2 records
New reaction record

Compound notes

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