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Chemical ID: 3965499
Chemical ID:
3965499
Name [?]:
2-amino-5-guanidino-pentanoic acid
SMILES [?]:
C(CC(C(=O)O)N)CNC(=N)N
InChi [?]:
InChI=1/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)
InChi Info:
AuxInfo=1/1/N:1,2,8,3,4,10,7,11,12,9,5,6/E:(8,9)(11,12)/rA:12cCCCCOONCNCNN/rB:s1;s2;s3;d4;s4;s3;s1;s8;s9;w10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H14N4O2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.41201 |
Area: | 368.186 |
Solvation: | -2.79263 |
Coulombic: | -77.634 |
Bond Count [?]
All: | 11 |
Single: | 9 |
Double: | 2 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 174.201 |
H-Bond Donors: | 7 |
H-Bond Acceptors: | 6 |
XLogP: | -2.92 |
LogP (Chemaxon): | -4.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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