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Chemical ID: 5086833
Chemical ID:
5086833
Name [?]:
2-(2-aminoacetyl)aminobutanoic acid
SMILES [?]:
CCC(C(=O)O)NC(=O)CN
InChi [?]:
InChI=1/C6H12N2O3/c1-2-4(6(10)11)8-5(9)3-7/h4H,2-3,7H2,1H3,(H,8,9)(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,2,10,3,8,4,11,7,9,5,6/E:(10,11)/rA:11cCCCCOONCOCN/rB:s1;s2;s3;d4;s4;s3;s7;d8;s8;s10;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H12N2O3 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.29375 |
Area: | 325.599 |
Solvation: | -2.84624 |
Coulombic: | -59.1929 |
Bond Count [?]
All: | 10 |
Single: | 8 |
Double: | 2 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 160.171 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 5 |
XLogP: | -1.13 |
LogP (Chemaxon): | -3.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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