(E)-3-{1'-tert-butoxycarbonyl-4-oxo-spiro[chromane-2,4'-piperidine]-6-yl}-acrylic acid

HCID 52952089
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1cc(/C=C/C(=O)O)ccc1O2
InChIKey
NSWCYUDNYQBDNW-FNORWQNLSA-N
Molecular formula
C21H25NO6
Average molar mass
387.4 g/mol
Monoisotopic mass
387.16818752

Names & identifiers

Preferred name
(E)-3-{1'-tert-butoxycarbonyl-4-oxo-spiro[chromane-2,4'-piperidine]-6-yl}-acrylic acid
IUPAC
(E)-3-[1'-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]prop-2-enoic acid

Names & synonyms

SCHEMBL1176485NSWCYUDNYQBDNW-FNORWQNLSA-N(E)-3-{1'-tert-butoxycarbonyl-4-oxo-spiro[chromane-2,4'-piperidine]-6-yl}-acrylic acid

Database identifiers

PubChem CID
52952089

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
93.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
28

Related reactions

4 records
New reaction record

Compound notes

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