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Chemical ID: 5273167
Chemical ID:
5273167
Name [?]:
2-(3-dimethylaminopropylcarbamoylamino)-3-methyl-pentanoic acid
SMILES [?]:
CCC(C)C(C(=O)O)NC(=O)NCCCN(C)C
InChi [?]:
InChI=1/C12H25N3O3/c1-5-9(2)10(11(16)17)14-12(18)13-7-6-8-15(3)4/h9-10H,5-8H2,1-4H3,(H,16,17)(H2,13,14,18)
InChi Info:
AuxInfo=1/1/N:1,4,17,18,2,14,13,15,3,5,6,10,12,9,16,7,8,11/E:(3,4)(16,17)/rA:18cCCCCCCOONCONCCCNCC/rB:s1;s2;s3;s3;s5;d6;s6;s5;s9;d10;s10;s12;s13;s14;s15;s16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H25N3O3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.31523 |
Area: | 493.746 |
Solvation: | -3.02843 |
Coulombic: | -66.8947 |
Bond Count [?]
All: | 17 |
Single: | 15 |
Double: | 2 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 259.345 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 0.69 |
LogP (Chemaxon): | -3.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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