Chemical ID: 5260386

CCOC(=O)CNC(=O)OC(C)(C)C
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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