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Chemical ID: 5854527
Chemical ID:
5854527
Name [?]:
4-(1-methoxycarbonyl-3-methyl-butyl)amino-4-oxo-butanoic acid
SMILES [?]:
CC(C)CC(C(=O)OC)NC(=O)CCC(=O)O
InChi [?]:
InChI=1/C11H19NO5/c1-7(2)6-8(11(16)17-3)12-9(13)4-5-10(14)15/h7-8H,4-6H2,1-3H3,(H,12,13)(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,3,9,13,14,4,2,5,11,15,6,10,12,16,17,7,8/E:(1,2)(14,15)/rA:17cCCCCCCOOCNCOCCCOO/rB:s1;s2;s2;s4;s5;d6;s6;s8;s5;s10;d11;s11;s13;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H19NO5 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.81044 |
Area: | 461.365 |
Solvation: | -3.72368 |
Coulombic: | -64.3798 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 245.272 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 0.74 |
LogP (Chemaxon): | 0.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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