Chemical ID: 6693928

C(CC(C(=O)O)N)CNC(=N)NN(=O)=O
Chemical ID:
6693928
Name [?]:
2-amino-5-(N-nitrocarbamimidoyl)amino-pentanoic acid
SMILES [?]:
C(CC(C(=O)O)N)CNC(=N)NN(=O)=O
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)
InChi Info:
AuxInfo=1/1/N:1,2,8,3,4,10,7,11,9,12,13,5,6,14,15/E:(12,13)(14,15)/CRV:11.5/rA:15cCCCCOONCNCNNNOO/rB:s1;s2;s3;d4;s4;s3;s1;s8;s9;w10;s10;s12;d13;d13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H13N5O4
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:2.95021
Area:418.329
Solvation:-7.50802
Coulombic:-79.5972
Bond Count [?]
All:14
Single:10
Double:4
Rotors:8
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:219.199
H-Bond Donors:6
H-Bond Acceptors:9
XLogP:-1.89
LogP (Chemaxon):-6.5

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