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Chemical ID: 6510624
Chemical ID:
6510624
Name [?]:
2-tert-butoxycarbonylaminopentanoic acid
SMILES [?]:
CCCC(C(=O)O)NC(=O)OC(C)(C)C
InChi [?]:
InChI=1/C10H19NO4/c1-5-6-7(8(12)13)11-9(14)15-10(2,3)4/h7H,5-6H2,1-4H3,(H,11,14)(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,13,14,15,2,3,4,5,9,12,8,6,7,10,11/E:(2,3,4)(12,13)/rA:15cCCCCCOONCOOCCCC/rB:s1;s2;s3;s4;d5;s5;s4;s8;d9;s9;s11;s12;s12;s12;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H19NO4 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.97619 |
Area: | 413.908 |
Solvation: | -2.37152 |
Coulombic: | -60.8259 |
Bond Count [?]
All: | 14 |
Single: | 12 |
Double: | 2 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 217.262 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.02 |
LogP (Chemaxon): | 1.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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