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Chemical ID: 6681227
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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