Name: Name:1H-Indole-1,2-dicarboxylic acid, octahydro-, 1-(1,1-dimethylethyl) ester, (2R)-
Brand: Angene
SKU: AG0015SS
Rating: 90 (10 reviews)

1H-Indole-1,2-dicarboxylic acid, octahydro-, 1-(1,1-dimethylethyl) ester, (2R)-

CAS No.:

1217525-04-6

Catalog Number:

AG0015SS

Molecular Formula:

C14H22NO4-

Molecular Weight:

268.3288

Catalog Number:

AG0015SS

Chemical Name:

1H-Indole-1,2-dicarboxylic acid, octahydro-, 1-(1,1-dimethylethyl) ester, (2R)-

CAS Number:

1217525-04-6

Molecular Formula:

C14H22NO4-

Molecular Weight:

268.3288

MDL Number:

MFCD12198182

IUPAC Name:

(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid

InChI:

InChI=1S/C14H23NO4/c1-14(2,3)19-13(18)15-10-7-5-4-6-9(10)8-11(15)12(16)17/h9-11H,4-8H2,1-3H3,(H,16,17)/t9?,10?,11-/m1/s1

InChI Key:

POJYGQHOQQDGQZ-VQXHTEKXSA-N

SMILES:

[O-]C(=O)[C@H]1CC2C(N1C(=O)OC(C)(C)C)CCCC2

Complexity:

374

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

269.163g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

269.341g/mol

Monoisotopic Mass:

269.163g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6