200,000+ products from a single source!
sales@angenechem.com
132622-71-0 | 1,2-Pyrrolidinedicarboxylic acid, 4-cyano-, 1-(1,1-dimethylethyl) ester, (2S,4S)-
CAS No: 132622-71-0 Catalog No: AG0010WX MDL No:
Product Description
Catalog Number:
AG0010WX
Chemical Name:
1,2-Pyrrolidinedicarboxylic acid, 4-cyano-, 1-(1,1-dimethylethyl) ester, (2S,4S)-
CAS Number:
132622-71-0
Molecular Formula:
C11H15N2O4-
Molecular Weight:
239.2478
IUPAC Name:
(2S,4S)-4-cyano-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C11H16N2O4/c1-11(2,3)17-10(16)13-6-7(5-12)4-8(13)9(14)15/h7-8H,4,6H2,1-3H3,(H,14,15)/t7-,8+/m1/s1
InChI Key:
MIVXQYMYEMUMKK-SFYZADRCSA-N
SMILES:
N#C[C@H]1C[C@H](N(C1)C(=O)OC(C)(C)C)C(=O)[O-]
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
240.111g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.259g/mol
Monoisotopic Mass:
240.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.