Name: Name:1-[1-(tert-butoxycarbonyl)piperidin-4-yl]-1H-1,2,3-triazole-4-carboxylic acid
Brand: Angene
SKU: AG0090SM
Rating: 90 (10 reviews)

1-[1-(tert-butoxycarbonyl)piperidin-4-yl]-1H-1,2,3-triazole-4-carboxylic acid

CAS No.:

1119452-31-1

Catalog Number:

AG0090SM

Molecular Formula:

C13H20N4O4

Molecular Weight:

296.3223

Catalog Number:

AG0090SM

Chemical Name:

1-[1-(tert-butoxycarbonyl)piperidin-4-yl]-1H-1,2,3-triazole-4-carboxylic acid

CAS Number:

1119452-31-1

Molecular Formula:

C13H20N4O4

Molecular Weight:

296.3223

MDL Number:

MFCD12027299

IUPAC Name:

1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]triazole-4-carboxylic acid

InChI:

InChI=1S/C13H20N4O4/c1-13(2,3)21-12(20)16-6-4-9(5-7-16)17-8-10(11(18)19)14-15-17/h8-9H,4-7H2,1-3H3,(H,18,19)

InChI Key:

SFMQXOOIHUKDLZ-UHFFFAOYSA-N

SMILES:

O=C(N1CCC(CC1)n1nnc(c1)C(=O)O)OC(C)(C)C

Complexity:

402

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

296.148g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

296.327g/mol

Monoisotopic Mass:

296.148g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

97.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9