Chemical ID: 6691845

CC(C)(C)OC(=O)CCC(C(=O)OC)N
Chemical ID:
6691845
Name [?]:
methyl tert-butyl 2-aminopentanedioate
SMILES [?]:
CC(C)(C)OC(=O)CCC(C(=O)OC)N
InChi [?]:
InChI=1/C10H19NO4/c1-10(2,3)15-8(12)6-5-7(11)9(13)14-4/h7H,5-6,11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,4,14,9,8,10,6,11,2,15,7,12,13,5/E:(1,2,3)/rA:15cCCCCOCOCCCCOOCN/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;d11;s11;s13;s10;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H19NO4
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:7.76259
Area:420.314
Solvation:-2.74526
Coulombic:-48.766
Bond Count [?]
All:14
Single:12
Double:2
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:217.262
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:0.76
LogP (Chemaxon):0.0

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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