Name: Name:1,3-Piperidinedicarboxylic acid, 4-Methyl-, 1-(1,1-diMethylethyl) ester, (3R,4R)-rel-
Brand: Angene
SKU: AG00AS44
Rating: 90 (10 reviews)

1,3-Piperidinedicarboxylic acid, 4-Methyl-, 1-(1,1-diMethylethyl) ester, (3R,4R)-rel-

CAS No.:

1469287-58-8

Catalog Number:

AG00AS44

Molecular Formula:

C12H21NO4

Molecular Weight:

243.2994

Catalog Number:

AG00AS44

Chemical Name:

1,3-Piperidinedicarboxylic acid, 4-Methyl-, 1-(1,1-diMethylethyl) ester, (3R,4R)-rel-

CAS Number:

1469287-58-8

Molecular Formula:

C12H21NO4

Molecular Weight:

243.2994

MDL Number:

MFCD29918322

IUPAC Name:

(3R,4R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid

InChI:

InChI=1S/C12H21NO4/c1-8-5-6-13(7-9(8)10(14)15)11(16)17-12(2,3)4/h8-9H,5-7H2,1-4H3,(H,14,15)/t8-,9+/m1/s1

InChI Key:

IFPZGYNNPYYDGA-BDAKNGLRSA-N

SMILES:

C[C@@H]1CCN(C[C@@H]1C(=O)O)C(=O)OC(C)(C)C

Complexity:

308

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

243.147g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

243.303g/mol

Monoisotopic Mass:

243.147g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6