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174676-79-0 | 3-Pyrrolidineacetic acid, 1-[(1S)-1-phenylethyl]-, methyl ester, (3R)-
CAS No: 174676-79-0 Catalog No: AG001ZVG MDL No:
Product Description
Catalog Number:
AG001ZVG
Chemical Name:
3-Pyrrolidineacetic acid, 1-[(1S)-1-phenylethyl]-, methyl ester, (3R)-
CAS Number:
174676-79-0
Molecular Formula:
C15H21NO2
Molecular Weight:
247.3327
IUPAC Name:
methyl 2-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]acetate
InChI:
InChI=1S/C15H21NO2/c1-12(14-6-4-3-5-7-14)16-9-8-13(11-16)10-15(17)18-2/h3-7,12-13H,8-11H2,1-2H3/t12-,13+/m0/s1
InChI Key:
AXXXNDPZZKCHAH-QWHCGFSZSA-N
SMILES:
COC(=O)C[C@H]1CCN(C1)[C@H](c1ccccc1)C
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
247.157g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.338g/mol
Monoisotopic Mass:
247.157g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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