200,000+ products from a single source!
sales@angenechem.com
1140495-84-6 | 1-Pyrrolidinecarboxylic acid, 2-[[[(4-chlorophenyl)Methyl]aMino]carbonyl]-, 1,1-diMethylethyl ester, (2R)-
CAS No: 1140495-84-6 Catalog No: AG000AEG MDL No:
Product Description
Catalog Number:
AG000AEG
Chemical Name:
1-Pyrrolidinecarboxylic acid, 2-[[[(4-chlorophenyl)Methyl]aMino]carbonyl]-, 1,1-diMethylethyl ester, (2R)-
CAS Number:
1140495-84-6
Molecular Formula:
C17H23ClN2O3
Molecular Weight:
338.8291
IUPAC Name:
tert-butyl (2R)-2-[(4-chlorophenyl)methylcarbamoyl]pyrrolidine-1-carboxylate
InChI:
InChI=1S/C17H23ClN2O3/c1-17(2,3)23-16(22)20-10-4-5-14(20)15(21)19-11-12-6-8-13(18)9-7-12/h6-9,14H,4-5,10-11H2,1-3H3,(H,19,21)/t14-/m1/s1
InChI Key:
PLTFSYLPECZQMS-CQSZACIVSA-N
SMILES:
O=C([C@H]1CCCN1C(=O)OC(C)(C)C)NCc1ccc(cc1)Cl
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
338.14g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
338.832g/mol
Monoisotopic Mass:
338.14g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.