Name: Name:1,2(1H)-Isoquinolinedicarboxylic acid, 3,4-dihydro-, 2-(1,1-diMethylethyl) ester, (1R)-
Brand: Angene
SKU: AG001N09
Rating: 90 (10 reviews)

1,2(1H)-Isoquinolinedicarboxylic acid, 3,4-dihydro-, 2-(1,1-diMethylethyl) ester, (1R)-

CAS No.:

151004-96-5

Catalog Number:

AG001N09

Molecular Formula:

C15H18NO4-

Molecular Weight:

276.3077

Catalog Number:

AG001N09

Chemical Name:

1,2(1H)-Isoquinolinedicarboxylic acid, 3,4-dihydro-, 2-(1,1-diMethylethyl) ester, (1R)-

CAS Number:

151004-96-5

Molecular Formula:

C15H18NO4-

Molecular Weight:

276.3077

MDL Number:

MFCD15474921

IUPAC Name:

(1R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid

InChI:

InChI=1S/C15H19NO4/c1-15(2,3)20-14(19)16-9-8-10-6-4-5-7-11(10)12(16)13(17)18/h4-7,12H,8-9H2,1-3H3,(H,17,18)/t12-/m1/s1

InChI Key:

KMTRFKAFNRHBCH-GFCCVEGCSA-N

SMILES:

O=C(N1CCc2c([C@@H]1C(=O)[O-])cccc2)OC(C)(C)C

Complexity:

388

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

277.131g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

277.32g/mol

Monoisotopic Mass:

277.131g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4