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1384268-90-9 | 1-Piperazinecarboxylic acid, 3-(hydroxymethyl)-5-oxo-4-(phenylmethyl)-, 1,1-dimethylethyl ester, (3R)-
CAS No: 1384268-90-9 Catalog No: AG001946 MDL No:
Product Description
Catalog Number:
AG001946
Chemical Name:
1-Piperazinecarboxylic acid, 3-(hydroxymethyl)-5-oxo-4-(phenylmethyl)-, 1,1-dimethylethyl ester, (3R)-
CAS Number:
1384268-90-9
Molecular Formula:
C17H24N2O4
Molecular Weight:
320.3835
IUPAC Name:
tert-butyl (3R)-4-benzyl-3-(hydroxymethyl)-5-oxopiperazine-1-carboxylate
InChI:
InChI=1S/C17H24N2O4/c1-17(2,3)23-16(22)18-10-14(12-20)19(15(21)11-18)9-13-7-5-4-6-8-13/h4-8,14,20H,9-12H2,1-3H3/t14-/m1/s1
InChI Key:
YOFQVFLXONCCSB-CQSZACIVSA-N
SMILES:
OC[C@H]1CN(CC(=O)N1Cc1ccccc1)C(=O)OC(C)(C)C
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
320.174g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
320.389g/mol
Monoisotopic Mass:
320.174g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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