Name: Name:(3R,7aS)-Methyl 5-oxo-3-phenylhexahydropyrrolo[1,2-c]oxazole-6-carboxylate
Brand: Angene
SKU: AG009C4Q
Rating: 90 (10 reviews)

(3R,7aS)-Methyl 5-oxo-3-phenylhexahydropyrrolo[1,2-c]oxazole-6-carboxylate

CAS No.:

1264298-11-4

Catalog Number:

AG009C4Q

Molecular Formula:

C14H15NO4

Molecular Weight:

261.2732

Catalog Number:

AG009C4Q

Chemical Name:

(3R,7aS)-Methyl 5-oxo-3-phenylhexahydropyrrolo[1,2-c]oxazole-6-carboxylate

CAS Number:

1264298-11-4

Molecular Formula:

C14H15NO4

Molecular Weight:

261.2732

MDL Number:

MFCD18642795

IUPAC Name:

methyl (3R,7aS)-5-oxo-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole-6-carboxylate

InChI:

InChI=1S/C14H15NO4/c1-18-14(17)11-7-10-8-19-13(15(10)12(11)16)9-5-3-2-4-6-9/h2-6,10-11,13H,7-8H2,1H3/t10-,11?,13+/m0/s1

InChI Key:

YWEWUMPGZRYRBN-CCQDYZPNSA-N

SMILES:

COC(=O)C1C[C@@H]2N(C1=O)[C@H](OC2)c1ccccc1

Complexity:

378

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

261.1g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

261.277g/mol

Monoisotopic Mass:

261.1g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2