2-amino-5-(N'-nitrocarbamimidamido)pentanoic acid

2-amino-5-(N'-nitrocarbamimidamido)pentanoic acid

CAS: 2149-70-4

Formula: C6H13N5O4

SMILES: NC(CCCNC(N)=N[N+]([O-])=O)C(O)=O

IUPAC: 2-amino-5-(N''-nitrocarbamimidamido)pentanoic acid

InChI: InChI=1/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)

Composition: C (32.88%), H (5.98%), N (31.95%), O (29.20%)

Molar Mass: 219.201

Atom Count: 28

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	219.096753919
Formal Charge	0
FSP3	0.67
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	4
InChIKey	MRAUNPAHJZDYCK-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.41
Topological Polar Surface Area	156.87
Polarizability	19.01
Ring Count	0
Rotatable Bond Count	6

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