200,000+ products from a single source!
sales@angenechem.com
1000370-76-2 | 1-Pyrrolidinecarboxylic acid, 3-[(2-nitrophenyl)amino]-, 1,1-dimethylethyl ester, (3R)-
CAS No: 1000370-76-2 Catalog No: AG0000MS MDL No:
Product Description
Catalog Number:
AG0000MS
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-[(2-nitrophenyl)amino]-, 1,1-dimethylethyl ester, (3R)-
CAS Number:
1000370-76-2
Molecular Formula:
C15H21N3O4
Molecular Weight:
307.3449
IUPAC Name:
tert-butyl (3R)-3-(2-nitroanilino)pyrrolidine-1-carboxylate
InChI:
InChI=1S/C15H21N3O4/c1-15(2,3)22-14(19)17-9-8-11(10-17)16-12-6-4-5-7-13(12)18(20)21/h4-7,11,16H,8-10H2,1-3H3/t11-/m1/s1
InChI Key:
OYKVDHNZFSJFAJ-LLVKDONJSA-N
SMILES:
O=C(N1CC[C@H](C1)Nc1ccccc1[N+](=O)[O-])OC(C)(C)C
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
307.153g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.35g/mol
Monoisotopic Mass:
307.153g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.