200,000+ products from a single source!
sales@angenechem.com
1260676-64-9 | Benzoic acid, 2-[3-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-1-pyrrolidinyl]-
CAS No: 1260676-64-9 Catalog No: AG000R1J MDL No:
Product Description
Catalog Number:
AG000R1J
Chemical Name:
Benzoic acid, 2-[3-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-1-pyrrolidinyl]-
CAS Number:
1260676-64-9
Molecular Formula:
C17H24N2O4
Molecular Weight:
320.3835
IUPAC Name:
2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-1-yl]benzoic acid
InChI:
InChI=1S/C17H24N2O4/c1-17(2,3)23-16(22)18-10-12-8-9-19(11-12)14-7-5-4-6-13(14)15(20)21/h4-7,12H,8-11H2,1-3H3,(H,18,22)(H,20,21)
InChI Key:
ZXLWUWFFDCSRCJ-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC1CCN(C1)c1ccccc1C(=O)O
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.174g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
320.389g/mol
Monoisotopic Mass:
320.174g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.