tert-butyl 4-(3-amino-2-methylpropanoyl)piperazine-1-carboxylate - CAS 1303889-86-2
Catalog: |
BB007099 |
Product Name: |
tert-butyl 4-(3-amino-2-methylpropanoyl)piperazine-1-carboxylate |
CAS: |
1303889-86-2 |
Synonyms: |
4-(3-amino-2-methyl-1-oxopropyl)-1-piperazinecarboxylic acid tert-butyl ester; tert-butyl 4-(3-amino-2-methylpropanoyl)piperazine-1-carboxylate |
IUPAC Name: | tert-butyl 4-(3-amino-2-methylpropanoyl)piperazine-1-carboxylate |
Description: | tert-butyl 4-(3-amino-2-methylpropanoyl)piperazine-1-carboxylate (CAS# 1303889-86-2 ) is a useful research chemical. |
Molecular Weight: | 271.361 |
Molecular Formula: | C13H25N3O3 |
Canonical SMILES: | CC(CN)C(=O)N1CCN(CC1)C(=O)OC(C)(C)C |
InChI: | InChI=1S/C13H25N3O3/c1-10(9-14)11(17)15-5-7-16(8-6-15)12(18)19-13(2,3)4/h10H,5-9,14H2,1-4H3 |
InChI Key: | QMHSMAJMHBLFRS-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
EP-2799435-A1 | Poly (adp-ribose) polymerase inhibitor | 20111130 |
EP-2799435-B1 | Poly (adp-ribose) polymerase inhibitor | 20111130 |
US-2015051211-A1 | Poly (adp-ribose) polymerase inhibitor | 20111130 |
US-2015368205-A1 | Poly (adp-ribose) polymerase inhibitor | 20111130 |
US-9187430-B2 | Poly (ADP-ribose) polymerase inhibitor | 20111130 |
Complexity: | 331 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 271.18959167 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 271.18959167 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 75.9 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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