Chemical ID: 4558279

c1nc(c2c(n1)n(cn2)CC(C(=O)O)N)N
Chemical ID:
4558279
Name [?]:
2-amino-3-(6-aminopurin-9-yl)-propanoic acid
SMILES [?]:
c1nc(c2c(n1)n(cn2)CC(C(=O)O)N)N
InChi [?]:
InChI=1/C8H10N6O2/c9-4(8(15)16)1-14-3-13-5-6(10)11-2-12-7(5)14/h2-4H,1,9H2,(H,15,16)(H2,10,11,12)
InChi Info:
AuxInfo=1/1/N:10,1,8,11,4,3,5,12,15,16,2,6,9,7,13,14/E:(15,16)/rA:16cCNCCCNNCNCCCOONN/rB:s1;d2;s3;d4;d1s5;s5;s7;s4d8;s7;s10;s11;d12;s12;s11;s3;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H10N6O2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:6.7947
Area:388.565
Solvation:-2.91944
Coulombic:-77.7123
Bond Count [?]
All:17
Single:12
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:222.204
H-Bond Donors:5
H-Bond Acceptors:4
XLogP:-3.49
LogP (Chemaxon):-3.38

Name Annotations

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Descriptor Annotations

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