Name: Name:1-[(tert-butoxy)carbonyl]-3-methoxypiperidine-4-carboxylic acid, Mixture of diastereomers
Brand: Angene
SKU: AG01EKJS
Rating: 90 (10 reviews)

1-[(tert-butoxy)carbonyl]-3-methoxypiperidine-4-carboxylic acid, Mixture of diastereomers

CAS No.:

1785096-97-0

Catalog Number:

AG01EKJS

Molecular Formula:

C12H21NO5

Molecular Weight:

259.2988

Catalog Number:

AG01EKJS

Chemical Name:

1-[(tert-butoxy)carbonyl]-3-methoxypiperidine-4-carboxylic acid, Mixture of diastereomers

CAS Number:

1785096-97-0

Molecular Formula:

C12H21NO5

Molecular Weight:

259.2988

IUPAC Name:

3-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid

InChI:

InChI=1S/C12H21NO5/c1-12(2,3)18-11(16)13-6-5-8(10(14)15)9(7-13)17-4/h8-9H,5-7H2,1-4H3,(H,14,15)

InChI Key:

JEBRCXVVNPFMDQ-UHFFFAOYSA-N

SMILES:

COC1CN(CCC1C(=O)O)C(=O)OC(C)(C)C

Complexity:

323

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

259.142g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

259.302g/mol

Monoisotopic Mass:

259.142g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

76.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.7