Chemical ID: 6681227

CC(C)(C)OC(=O)NC(CC(=O)OC)C(=O)O
Chemical ID:
6681227
Name [?]:
4-methoxy-4-oxo-2-tert-butoxycarbonylamino-butanoic acid
SMILES [?]:
CC(C)(C)OC(=O)NC(CC(=O)OC)C(=O)O
InChi [?]:
InChI=1/C10H17NO6/c1-10(2,3)17-9(15)11-6(8(13)14)5-7(12)16-4/h6H,5H2,1-4H3,(H,11,15)(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,3,4,14,10,9,11,15,6,2,8,12,16,17,7,13,5/E:(1,2,3)(13,14)/rA:17cCCCCOCONCCCOOCCOO/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;d11;s11;s13;s9;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H17NO6
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:7.06508
Area:436.474
Solvation:-3.84678
Coulombic:-76.2235
Bond Count [?]
All:16
Single:13
Double:3
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:247.245
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:0.53
LogP (Chemaxon):0.16

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