5-((3aR,6aS)-5-(tert-butoxycarbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)nicotinic Acid

HCID 67265367
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1C[C@@H]2CN(c3cncc(C(=O)O)c3)C[C@@H]2C1
InChIKey
FKPVVCPXELHOEL-BETUJISGSA-N
Molecular formula
C17H23N3O4
Average molar mass
333.4 g/mol
Monoisotopic mass
333.16885622

Names & identifiers

Preferred name
5-((3aR,6aS)-5-(tert-butoxycarbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)nicotinic Acid
IUPAC
5-[(3aS,6aR)-5-[(2-methylpropan-2-yl)oxycarbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carboxylic acid

Names & synonyms

SCHEMBL2064193FKPVVCPXELHOEL-BETUJISGSA-N5-((3aR,6aS)-5-(tert-butoxycarbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)nicotinic Acid

Database identifiers

PubChem CID
67265367

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
83 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
24

Related reactions

44 records
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Compound notes

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