Name: Name:2-Azabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, 2-(1,1-dimethylethyl) ester, (1S,3R,4R)-
Brand: Angene
SKU: AG002XL7
Rating: 90 (10 reviews)

2-Azabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, 2-(1,1-dimethylethyl) ester, (1S,3R,4R)-

CAS No.:

291775-53-6

Catalog Number:

AG002XL7

Molecular Formula:

C12H18NO4-

Molecular Weight:

240.2756

Catalog Number:

AG002XL7

Chemical Name:

2-Azabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, 2-(1,1-dimethylethyl) ester, (1S,3R,4R)-

CAS Number:

291775-53-6

Molecular Formula:

C12H18NO4-

Molecular Weight:

240.2756

MDL Number:

MFCD11656159

IUPAC Name:

(1S,3R,4R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic acid

InChI:

InChI=1S/C12H19NO4/c1-12(2,3)17-11(16)13-8-5-4-7(6-8)9(13)10(14)15/h7-9H,4-6H2,1-3H3,(H,14,15)/t7-,8+,9-/m1/s1

InChI Key:

IFAMSTPTNRJBRG-HRDYMLBCSA-N

SMILES:

[O-]C(=O)[C@H]1[C@@H]2CC[C@H](N1C(=O)OC(C)(C)C)C2

Complexity:

347

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

241.131g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

241.287g/mol

Monoisotopic Mass:

241.131g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7