Name: Name:3-Cyclohexene-1-carboxylic acid, 6-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester, (1R,6R)-rel-
Brand: Angene
SKU: AG00IL0T
Rating: 90 (10 reviews)

3-Cyclohexene-1-carboxylic acid, 6-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester, (1R,6R)-rel-

CAS No.:

323196-39-0

Catalog Number:

AG00IL0T

Molecular Formula:

C13H21NO4

Molecular Weight:

255.3101

Catalog Number:

AG00IL0T

Chemical Name:

3-Cyclohexene-1-carboxylic acid, 6-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester, (1R,6R)-rel-

CAS Number:

323196-39-0

Molecular Formula:

C13H21NO4

Molecular Weight:

255.3101

MDL Number:

MFCD28901364

IUPAC Name:

methyl (1R,6S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohex-3-ene-1-carboxylate

InChI:

InChI=1S/C13H21NO4/c1-13(2,3)18-12(16)14-10-8-6-5-7-9(10)11(15)17-4/h5-6,9-10H,7-8H2,1-4H3,(H,14,16)/t9-,10+/m1/s1

InChI Key:

RZIDCDXFSTUXMB-ZJUUUORDSA-N

SMILES:

COC(=O)[C@@H]1CC=CC[C@H]1NC(=O)OC(C)(C)C

Complexity:

343

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

255.147g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

255.314g/mol

Monoisotopic Mass:

255.147g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6