Name: Name:1-(Tert-Butoxycarbonyl)-5,6-Dihydrospiro[Piperidine-4,7-Pyrrolo[1,2-D]Tetrazole]-6-Carboxylic Acid
Brand: Angene
SKU: AG00HHXF
Rating: 90 (10 reviews)

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

CAS No.:

1250995-82-4

Catalog Number:

AG00HHXF

Molecular Formula:

C14H21N5O4

Molecular Weight:

323.3476

Catalog Number:

AG00HHXF

Chemical Name:

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

CAS Number:

1250995-82-4

Molecular Formula:

C14H21N5O4

Molecular Weight:

323.3476

MDL Number:

MFCD18792501

IUPAC Name:

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

InChI:

InChI=1S/C14H21N5O4/c1-13(2,3)23-12(22)18-6-4-14(5-7-18)9(10(20)21)8-19-11(14)15-16-17-19/h9H,4-8H2,1-3H3,(H,20,21)

InChI Key:

NYLBWDINMQVQOB-UHFFFAOYSA-N

SMILES:

OC(=O)C1Cn2c(C31CCN(CC3)C(=O)OC(C)(C)C)nnn2

Complexity:

498

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

323.159g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

323.353g/mol

Monoisotopic Mass:

323.159g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

110A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.3