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Chemical ID: 5236039
Chemical ID:
5236039
Name [?]:
2-(2-aminobutanoylamino)-3-hydroxy-propanoic acid
SMILES [?]:
CCC(C(=O)NC(CO)C(=O)O)N
InChi [?]:
InChI=1/C7H14N2O4/c1-2-4(8)6(11)9-5(3-10)7(12)13/h4-5,10H,2-3,8H2,1H3,(H,9,11)(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,8,3,7,4,10,13,6,9,5,11,12/E:(12,13)/rA:13cCCCCONCCOCOON/rB:s1;s2;s3;d4;s4;s6;s7;s8;s7;d10;s10;s3;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H14N2O4 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 4.73087 |
Area: | 363.496 |
Solvation: | -4.35653 |
Coulombic: | -75.8284 |
Bond Count [?]
All: | 12 |
Single: | 10 |
Double: | 2 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 190.197 |
H-Bond Donors: | 5 |
H-Bond Acceptors: | 6 |
XLogP: | -1.73 |
LogP (Chemaxon): | -4.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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