200,000+ products from a single source!
sales@angenechem.com
1161742-89-7 | 1,3-Pyrrolidinedicarboxylic acid, 4-amino-, 1-(1,1-dimethylethyl) 3-ethyl ester, (3S,4S)-
CAS No: 1161742-89-7 Catalog No: AG000BTG MDL No:MFCD23105858
Product Description
Catalog Number:
AG000BTG
Chemical Name:
1,3-Pyrrolidinedicarboxylic acid, 4-amino-, 1-(1,1-dimethylethyl) 3-ethyl ester, (3S,4S)-
CAS Number:
1161742-89-7
Molecular Formula:
C12H22N2O4
Molecular Weight:
258.3141
MDL Number:
MFCD23105858
IUPAC Name:
1-O-tert-butyl 3-O-ethyl (3S,4S)-4-aminopyrrolidine-1,3-dicarboxylate
InChI:
InChI=1S/C12H22N2O4/c1-5-17-10(15)8-6-14(7-9(8)13)11(16)18-12(2,3)4/h8-9H,5-7,13H2,1-4H3/t8-,9+/m0/s1
InChI Key:
AIZZFYPYPULRFL-DTWKUNHWSA-N
SMILES:
CCOC(=O)[C@H]1CN(C[C@H]1N)C(=O)OC(C)(C)C
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
258.158g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.318g/mol
Monoisotopic Mass:
258.158g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.