Name: Name:2-(2-methylbutanoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
Brand: Angene
SKU: AG01A92V
Rating: 90 (10 reviews)

2-(2-methylbutanoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

CAS No.:

1104734-29-3

Catalog Number:

AG01A92V

Molecular Formula:

C15H19NO3

Molecular Weight:

261.3163

Catalog Number:

AG01A92V

Chemical Name:

2-(2-methylbutanoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

CAS Number:

1104734-29-3

Molecular Formula:

C15H19NO3

Molecular Weight:

261.3163

MDL Number:

MFCD09742510

IUPAC Name:

2-(2-methylbutanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

InChI:

InChI=1S/C15H19NO3/c1-3-10(2)14(17)16-9-12-7-5-4-6-11(12)8-13(16)15(18)19/h4-7,10,13H,3,8-9H2,1-2H3,(H,18,19)

InChI Key:

DYRWMRWIJLYVIT-UHFFFAOYSA-N

SMILES:

CCC(C(=O)N1Cc2ccccc2CC1C(=O)O)C

Complexity:

355

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

261.136g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

261.321g/mol

Monoisotopic Mass:

261.136g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3