tert-butyl N-{[(2-aminoethyl)imino][(tert-butoxycarbonyl)amino]methyl}carbamate

tert-butyl N-{[(2-aminoethyl)imino][(tert-butoxycarbonyl)amino]methyl}carbamate

CAS: 203258-44-0

Formula: C13H26N4O4

SMILES: CC(C)(C)OC(=O)NC(NC(=O)OC(C)(C)C)=NCCN

IUPAC: tert-butyl N-{[(2-aminoethyl)imino]({[(tert-butoxy)carbonyl]amino})methyl}carbamate

InChI: InChI=1S/C13H26N4O4/c1-12(2,3)20-10(18)16-9(15-8-7-14)17-11(19)21-13(4,5)6/h7-8,14H2,1-6H3,(H2,15,16,17,18,19)

Composition: C (51.64%), H (8.67%), N (18.53%), O (21.16%)

Molar Mass: 302.375

Atom Count: 47

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	302.195405333
Formal Charge	0
FSP3	0.77
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	GKQKBELHRNEGCI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	78.04
Topological Polar Surface Area	115.04
Polarizability	30.8
Ring Count	0
Rotatable Bond Count	6

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