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192330-11-3 | 1,3-Piperazinedicarboxylic acid, 1-(1,1-dimethylethyl) ester, (3R)-
CAS No: 192330-11-3 Catalog No: AG002FUL MDL No:MFCD02179099
Product Description
Catalog Number:
AG002FUL
Chemical Name:
1,3-Piperazinedicarboxylic acid, 1-(1,1-dimethylethyl) ester, (3R)-
CAS Number:
192330-11-3
Molecular Formula:
C10H17N2O4-
Molecular Weight:
229.2530
MDL Number:
MFCD02179099
IUPAC Name:
(2R)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
InChI:
InChI=1S/C10H18N2O4/c1-10(2,3)16-9(15)12-5-4-11-7(6-12)8(13)14/h7,11H,4-6H2,1-3H3,(H,13,14)/t7-/m1/s1
InChI Key:
YRYAXQJXMBETAT-SSDOTTSWSA-N
SMILES:
[O-]C(=O)[C@@H]1NCCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
230.127g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.264g/mol
Monoisotopic Mass:
230.127g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.2
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