Chemical ID: 5854527

CC(C)CC(C(=O)OC)NC(=O)CCC(=O)O
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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