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1638763-93-5 | 2-Pyrrolidinone, 4-amino-3,3-dimethyl-1-[(1R)-1-phenylethyl]-, (4S)-rel-
CAS No: 1638763-93-5 Catalog No: AG001UID MDL No:
Product Description
Catalog Number:
AG001UID
Chemical Name:
2-Pyrrolidinone, 4-amino-3,3-dimethyl-1-[(1R)-1-phenylethyl]-, (4S)-rel-
CAS Number:
1638763-93-5
Molecular Formula:
C14H20N2O
Molecular Weight:
232.3214
IUPAC Name:
(4S)-4-amino-3,3-dimethyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
InChI:
InChI=1S/C14H20N2O/c1-10(11-7-5-4-6-8-11)16-9-12(15)14(2,3)13(16)17/h4-8,10,12H,9,15H2,1-3H3/t10-,12-/m1/s1
InChI Key:
NVOHBYITWMZMII-ZYHUDNBSSA-N
SMILES:
C[C@@H](N1C[C@H](C(C1=O)(C)C)N)c1ccccc1
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
232.158g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.327g/mol
Monoisotopic Mass:
232.158g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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