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Chemical ID: 6510635
Chemical ID:
6510635
Name [?]:
3-methyl-2-tert-butoxycarbonylamino-pentanoic acid
SMILES [?]:
CCC(C)C(C(=O)O)NC(=O)OC(C)(C)C
InChi [?]:
InChI=1/C11H21NO4/c1-6-7(2)8(9(13)14)12-10(15)16-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,4,14,15,16,2,3,5,6,10,13,9,7,8,11,12/E:(3,4,5)(13,14)/rA:16cCCCCCCOONCOOCCCC/rB:s1;s2;s3;s3;s5;d6;s6;s5;s9;d10;s10;s12;s13;s13;s13;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H21NO4 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.44184 |
Area: | 427.502 |
Solvation: | -2.24572 |
Coulombic: | -61.3278 |
Bond Count [?]
All: | 15 |
Single: | 13 |
Double: | 2 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 231.289 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.31 |
LogP (Chemaxon): | 2.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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