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Chemical ID: 4260373
Chemical ID:
4260373
Name [?]:
2-[2-(2-aminopropanoylamino)acetyl]aminoacetic acid
SMILES [?]:
CC(C(=O)NCC(=O)NCC(=O)O)N
InChi [?]:
InChI=1/C7H13N3O4/c1-4(8)7(14)10-2-5(11)9-3-6(12)13/h4H,2-3,8H2,1H3,(H,9,11)(H,10,14)(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,6,10,2,7,11,3,14,9,5,8,12,13,4/E:(12,13)/rA:14cCCCONCCONCCOON/rB:s1;s2;d3;s3;s5;s6;d7;s7;s9;s10;d11;s11;s2;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H13N3O4 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.04762 |
Area: | 398.374 |
Solvation: | -3.91174 |
Coulombic: | -79.1544 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 203.196 |
H-Bond Donors: | 5 |
H-Bond Acceptors: | 7 |
XLogP: | -2.31 |
LogP (Chemaxon): | -6.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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