Name: Name:1-Piperazinecarboxylic acid, 4-(5-borono-3-methyl-2-pyridinyl)-, 1-(1,1-dimethylethyl) ester
Brand: Angene
SKU: AG0017PG
Rating: 90 (10 reviews)

1-Piperazinecarboxylic acid, 4-(5-borono-3-methyl-2-pyridinyl)-, 1-(1,1-dimethylethyl) ester

CAS No.:

1379476-75-1

Catalog Number:

AG0017PG

Molecular Formula:

C15H24BN3O4

Molecular Weight:

321.1798

Catalog Number:

AG0017PG

Chemical Name:

1-Piperazinecarboxylic acid, 4-(5-borono-3-methyl-2-pyridinyl)-, 1-(1,1-dimethylethyl) ester

CAS Number:

1379476-75-1

Molecular Formula:

C15H24BN3O4

Molecular Weight:

321.1798

MDL Number:

MFCD23701644

IUPAC Name:

[5-methyl-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridin-3-yl]boronic acid

InChI:

InChI=1S/C15H24BN3O4/c1-11-9-12(16(21)22)10-17-13(11)18-5-7-19(8-6-18)14(20)23-15(2,3)4/h9-10,21-22H,5-8H2,1-4H3

InChI Key:

GHPCJQQHZGRNDJ-UHFFFAOYSA-N

SMILES:

O=C(N1CCN(CC1)c1ncc(cc1C)B(O)O)OC(C)(C)C

Complexity:

408

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

321.186g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

321.184g/mol

Monoisotopic Mass:

321.186g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

86.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count: