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99735-45-2 | (R)-Methyl 5-oxo-1-((R)-1-phenylethyl)pyrrolidine-3-carboxylate
CAS No: 99735-45-2 Catalog No: AG003W2X MDL No:
Product Description
Catalog Number:
AG003W2X
Chemical Name:
(R)-Methyl 5-oxo-1-((R)-1-phenylethyl)pyrrolidine-3-carboxylate
CAS Number:
99735-45-2
Molecular Formula:
C14H17NO3
Molecular Weight:
247.2897
IUPAC Name:
methyl (3R)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate
InChI:
InChI=1S/C14H17NO3/c1-10(11-6-4-3-5-7-11)15-9-12(8-13(15)16)14(17)18-2/h3-7,10,12H,8-9H2,1-2H3/t10-,12-/m1/s1
InChI Key:
BENQIPNJLDAXAT-ZYHUDNBSSA-N
SMILES:
COC(=O)[C@H]1CN(C(=O)C1)[C@@H](c1ccccc1)C
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
247.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.294g/mol
Monoisotopic Mass:
247.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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