Name: Name:1-Benzyl-4-n-boc-amino-isonipecotic acid methyl ester
Brand: Angene
SKU: AG002YB1
Rating: 90 (10 reviews)

1-Benzyl-4-n-boc-amino-isonipecotic acid methyl ester

CAS No.:

294180-37-3

Catalog Number:

AG002YB1

Molecular Formula:

C19H28N2O4

Molecular Weight:

348.4366

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Catalog Number:

AG002YB1

Chemical Name:

1-Benzyl-4-n-boc-amino-isonipecotic acid methyl ester

CAS Number:

294180-37-3

Molecular Formula:

C19H28N2O4

Molecular Weight:

348.4366

MDL Number:

MFCD09749832

IUPAC Name:

methyl 1-benzyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate

InChI:

InChI=1S/C19H28N2O4/c1-18(2,3)25-17(23)20-19(16(22)24-4)10-12-21(13-11-19)14-15-8-6-5-7-9-15/h5-9H,10-14H2,1-4H3,(H,20,23)

InChI Key:

ABKUDWKUABCGGM-UHFFFAOYSA-N

SMILES:

COC(=O)C1(CCN(CC1)Cc1ccccc1)NC(=O)OC(C)(C)C

Complexity:

459

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

348.205g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

348.443g/mol

Monoisotopic Mass:

348.205g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

67.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7