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Chemical ID: 5260386
Chemical ID:
5260386
Name [?]:
ethyl 2-tert-butoxycarbonylaminoacetate
SMILES [?]:
CCOC(=O)CNC(=O)OC(C)(C)C
InChi [?]:
InChI=1/C9H17NO4/c1-5-13-7(11)6-10-8(12)14-9(2,3)4/h5-6H2,1-4H3,(H,10,12)
InChi Info:
AuxInfo=1/1/N:1,12,13,14,2,6,4,8,11,7,5,9,3,10/E:(2,3,4)/rA:14nCCOCOCNCOOCCCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s8;s10;s11;s11;s11;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H17NO4 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.92909 |
Area: | 404.284 |
Solvation: | -2.17801 |
Coulombic: | -52.2874 |
Bond Count [?]
All: | 13 |
Single: | 11 |
Double: | 2 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 203.236 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.31 |
LogP (Chemaxon): | 0.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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