Chemical ID: 6917267

C(CC(C(=O)O)N)CNC(=N)NP(=O)(O)O
Chemical ID:
6917267
Name [?]:
2-amino-5-(N-phosphonocarbamimidoyl)amino-pentanoic acid
SMILES [?]:
C(CC(C(=O)O)N)CNC(=N)NP(=O)(O)O
InChi [?]:
InChI=1/C6H15N4O5P/c7-4(5(11)12)2-1-3-9-6(8)10-16(13,14)15/h4H,1-3,7H2,(H,11,12)(H5,8,9,10,13,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,8,3,4,10,7,11,9,12,5,6,14,15,16,13/E:(11,12)(13,14,15)/rA:16cCCCCOONCNCNNPOOO/rB:s1;s2;s3;d4;s4;s3;s1;s8;s9;w10;s10;s12;d13;s13;s13;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H15N4O5P
All Atoms:31
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:6.32841
Area:445.597
Solvation:-4.8115
Coulombic:-113.46
Bond Count [?]
All:15
Single:12
Double:3
Rotors:8
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:254.181
H-Bond Donors:8
H-Bond Acceptors:9
XLogP:-4.21
LogP (Chemaxon):-6.16

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