1-(tert-butoxycarbonyl)-4-methyl-5-oxopiperazine-2-carboxylic acid

1-(tert-butoxycarbonyl)-4-methyl-5-oxopiperazine-2-carboxylic acid

CAS: 1822579-90-7

Formula: C11H18N2O5

SMILES: CN1CC(N(CC1=O)C(=O)OC(C)(C)C)C(O)=O

IUPAC: 1-[(tert-butoxy)carbonyl]-4-methyl-5-oxopiperazine-2-carboxylic acid

InChI: InChI=1/C11H18N2O5/c1-11(2,3)18-10(17)13-6-8(14)12(4)5-7(13)9(15)16/h7H,5-6H2,1-4H3,(H,15,16)

Composition: C (51.16%), H (7.03%), N (10.85%), O (30.97%)

Molar Mass: 258.274

Atom Count: 36

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	258.121571688
Formal Charge	0
FSP3	0.73
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	JCWVJGRONWQGDE-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.25
Topological Polar Surface Area	87.15
Polarizability	24.07
Ring Count	1
Rotatable Bond Count	3

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