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1417789-46-8 | 1-Pyrrolidinecarboxylic acid, 3-[(3-amino-2-pyridinyl)amino]-, 1,1-dimethylethyl ester, (3S)-
CAS No: 1417789-46-8 Catalog No: AG001H2P MDL No:MFCD22631747
Product Description
Catalog Number:
AG001H2P
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-[(3-amino-2-pyridinyl)amino]-, 1,1-dimethylethyl ester, (3S)-
CAS Number:
1417789-46-8
Molecular Formula:
C14H22N4O2
Molecular Weight:
278.3501
MDL Number:
MFCD22631747
IUPAC Name:
tert-butyl (3S)-3-[(3-aminopyridin-2-yl)amino]pyrrolidine-1-carboxylate
InChI:
InChI=1S/C14H22N4O2/c1-14(2,3)20-13(19)18-8-6-10(9-18)17-12-11(15)5-4-7-16-12/h4-5,7,10H,6,8-9,15H2,1-3H3,(H,16,17)/t10-/m0/s1
InChI Key:
NEUIHEJKMNHETP-JTQLQIEISA-N
SMILES:
O=C(N1CC[C@@H](C1)Nc1ncccc1N)OC(C)(C)C
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
278.174g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
278.356g/mol
Monoisotopic Mass:
278.174g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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