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1000370-80-8 | 1-Pyrrolidinecarboxylic acid, 3-[(2-aminophenyl)amino]-, 1,1-dimethylethyl ester, (3R)-
CAS No: 1000370-80-8 Catalog No: AG0000MR MDL No:
Product Description
Catalog Number:
AG0000MR
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-[(2-aminophenyl)amino]-, 1,1-dimethylethyl ester, (3R)-
CAS Number:
1000370-80-8
Molecular Formula:
C15H23N3O2
Molecular Weight:
277.3620
IUPAC Name:
tert-butyl (3R)-3-(2-aminoanilino)pyrrolidine-1-carboxylate
InChI:
InChI=1S/C15H23N3O2/c1-15(2,3)20-14(19)18-9-8-11(10-18)17-13-7-5-4-6-12(13)16/h4-7,11,17H,8-10,16H2,1-3H3/t11-/m1/s1
InChI Key:
UPRQOXULXDFABD-LLVKDONJSA-N
SMILES:
O=C(N1CC[C@H](C1)Nc1ccccc1N)OC(C)(C)C
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
277.179g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
277.368g/mol
Monoisotopic Mass:
277.179g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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