200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1227845-15-9
1227845-15-9 | 1,3-Pyrrolidinedicarboxylic acid, 4-(4-ethylphenyl)-, 1-(1,1-dimethylethyl) ester, (3R,4S)-rel-
CAS No: 1227845-15-9 Catalog No: AG000JGN MDL No:MFCD22422624
Product Description
Catalog Number:
AG000JGN
Chemical Name:
1,3-Pyrrolidinedicarboxylic acid, 4-(4-ethylphenyl)-, 1-(1,1-dimethylethyl) ester, (3R,4S)-rel-
CAS Number:
1227845-15-9
Molecular Formula:
C18H24NO4-
Molecular Weight:
318.3875
MDL Number:
MFCD22422624
IUPAC Name:
(3S,4R)-4-(4-ethylphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C18H25NO4/c1-5-12-6-8-13(9-7-12)14-10-19(11-15(14)16(20)21)17(22)23-18(2,3)4/h6-9,14-15H,5,10-11H2,1-4H3,(H,20,21)/t14-,15+/m0/s1
InChI Key:
JWLPJRRREUHHCY-LSDHHAIUSA-N
SMILES:
CCc1ccc(cc1)[C@H]1CN(C[C@@H]1C(=O)[O-])C(=O)OC(C)(C)C
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
319.178g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.401g/mol
Monoisotopic Mass:
319.178g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.