Chemical ID: 6510533

CN(CC(=O)O)C(=N)NP(=O)([O-])[O-]
Chemical ID:
6510533
Name [?]:
2-[methyl-(N-phosphonatocarbamimidoyl)-amino]acetic acid
SMILES [?]:
CN(CC(=O)O)C(=N)NP(=O)([O-])[O-]
InChi [?]:
InChI=1/C4H10N3O5P/c1-7(2-3(8)9)4(5)6-13(10,11)12/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12)/p-2
InChi Info:
AuxInfo=1/1/N:1,3,4,7,8,9,2,5,6,11,12,13,10/E:(8,9)(10,11,12)/rA:13nCNCCOOCNNPOO-O-/rB:s1;s2;s3;d4;s4;s2;w7;s7;s9;d10;s10;s10;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C4H8N3O5P-2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:-128.638
Area:361.703
Solvation:-137.68
Coulombic:30.7312
Bond Count [?]
All:12
Single:9
Double:3
Rotors:5
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:209.097
H-Bond Donors:3
H-Bond Acceptors:8
XLogP:-1.52
LogP (Chemaxon):-1.72

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