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1010446-31-7 | 1-Pyrrolidinecarboxylic acid, 3-(1-piperazinyl)-, 1,1-dimethylethyl ester, (3S)-
CAS No: 1010446-31-7 Catalog No: AG0003LO MDL No:MFCD18633366
Product Description
Catalog Number:
AG0003LO
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-(1-piperazinyl)-, 1,1-dimethylethyl ester, (3S)-
CAS Number:
1010446-31-7
Molecular Formula:
C13H25N3O2
Molecular Weight:
255.3565
MDL Number:
MFCD18633366
IUPAC Name:
tert-butyl (3S)-3-piperazin-1-ylpyrrolidine-1-carboxylate
InChI:
InChI=1S/C13H25N3O2/c1-13(2,3)18-12(17)16-7-4-11(10-16)15-8-5-14-6-9-15/h11,14H,4-10H2,1-3H3/t11-/m0/s1
InChI Key:
HCNFKJFDUHUDTA-NSHDSACASA-N
SMILES:
O=C(N1CC[C@@H](C1)N1CCNCC1)OC(C)(C)C
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
255.195g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.362g/mol
Monoisotopic Mass:
255.195g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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