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Chemical ID: 6692448
Chemical ID:
6692448
Name [?]:
4-hydroxy-2-tert-butoxycarbonylamino-butanoic acid
SMILES [?]:
CC(C)(C)OC(=O)NC(CCO)C(=O)O
InChi [?]:
InChI=1/C9H17NO5/c1-9(2,3)15-8(14)10-6(4-5-11)7(12)13/h6,11H,4-5H2,1-3H3,(H,10,14)(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,3,4,10,11,9,13,6,2,8,12,14,15,7,5/E:(1,2,3)(12,13)/rA:15cCCCCOCONCCCOCOO/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s11;s9;d13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H17NO5 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.45574 |
Area: | 407.699 |
Solvation: | -3.73673 |
Coulombic: | -75.9987 |
Bond Count [?]
All: | 14 |
Single: | 12 |
Double: | 2 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 219.235 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 0.32 |
LogP (Chemaxon): | 0.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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