Chemical ID: 6913782

CNC(=NC)NCCCC(C(=O)O)N
Chemical ID:
6913782
Name [?]:
2-amino-5-(methylamino-methylimino-methyl)amino-pentanoic acid
SMILES [?]:
CNC(=NC)NCCCC(C(=O)O)N
InChi [?]:
InChI=1/C8H18N4O2/c1-10-8(11-2)12-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H,13,14)(H2,10,11,12)
InChi Info:
AuxInfo=1/1/N:1,5,8,9,7,10,11,3,14,2,4,6,12,13/E:(1,2)(10,11)(13,14)/rA:14cCNCNCNCCCCCOON/rB:s1;s2;w3;s4;s3;s6;s7;s8;s9;s10;d11;s11;s10;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H18N4O2
All Atoms:32
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:7.11606
Area:416.891
Solvation:-3.30622
Coulombic:-66.8545
Bond Count [?]
All:13
Single:11
Double:2
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:202.254
H-Bond Donors:5
H-Bond Acceptors:6
XLogP:-2.49
LogP (Chemaxon):-3.77

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Descriptor Annotations

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