Name: Name:1-(Tert-Butoxycarbonyl)-5,6-Dihydrospiro[Piperidine-4,7-Pyrrolo[2,1-C][1,2,4]Triazole]-6-Carboxylic Acid
Brand: Angene
SKU: AG00HHXJ
Rating: 90 (10 reviews)

1-(Tert-Butoxycarbonyl)-5,6-Dihydrospiro[Piperidine-4,7-Pyrrolo[2,1-C][1,2,4]Triazole]-6-Carboxylic Acid

CAS No.:

1250996-85-0

Catalog Number:

AG00HHXJ

Molecular Formula:

C15H22N4O4

Molecular Weight:

322.3596

Catalog Number:

AG00HHXJ

Chemical Name:

1-(Tert-Butoxycarbonyl)-5,6-Dihydrospiro[Piperidine-4,7-Pyrrolo[2,1-C][1,2,4]Triazole]-6-Carboxylic Acid

CAS Number:

1250996-85-0

Molecular Formula:

C15H22N4O4

Molecular Weight:

322.3596

IUPAC Name:

1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[5,6-dihydropyrrolo[2,1-c][1,2,4]triazole-7,4'-piperidine]-6-carboxylic acid

InChI:

InChI=1S/C15H22N4O4/c1-14(2,3)23-13(22)18-6-4-15(5-7-18)10(11(20)21)8-19-9-16-17-12(15)19/h9-10H,4-8H2,1-3H3,(H,20,21)

InChI Key:

OPVIFSBRWSFTFF-UHFFFAOYSA-N

SMILES:

O=C(N1CCC2(CC1)C(Cn1c2nnc1)C(=O)O)OC(C)(C)C

Complexity:

496

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

322.164g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

322.365g/mol

Monoisotopic Mass:

322.164g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

97.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.1