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Chemical ID: 4906007
Chemical ID:
4906007
Name [?]:
2-[4-(1-carboxyethylamino)butylamino]propanoic acid
SMILES [?]:
CC(C(=O)O)NCCCCNC(C)C(=O)O
InChi [?]:
InChI=1/C10H20N2O4/c1-7(9(13)14)11-5-3-4-6-12-8(2)10(15)16/h7-8,11-12H,3-6H2,1-2H3,(H,13,14)(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,13,8,9,7,10,2,12,3,14,6,11,4,5,15,16/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14,15,16)/gE:(1,2)/rA:16cCCCOONCCCCNCCCOO/rB:s1;s2;d3;s3;s2;s6;s7;s8;s9;s10;s11;s12;s12;d14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H20N2O4 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.69275 |
Area: | 459.425 |
Solvation: | -3.79287 |
Coulombic: | -70.6187 |
Bond Count [?]
All: | 15 |
Single: | 13 |
Double: | 2 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 232.277 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 6 |
XLogP: | -0.03 |
LogP (Chemaxon): | -4.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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