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Chemical ID: 6690777
Chemical ID:
6690777
Name [?]:
tert-butyl 2-amino-3-methyl-pentanoate
SMILES [?]:
CCC(C)C(C(=O)OC(C)(C)C)N
InChi [?]:
InChI=1/C10H21NO2/c1-6-7(2)8(11)9(12)13-10(3,4)5/h7-8H,6,11H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,4,10,11,12,2,3,5,6,9,13,7,8/E:(3,4,5)/rA:13cCCCCCCOOCCCCN/rB:s1;s2;s3;s3;s5;d6;s6;s8;s9;s9;s9;s5;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H21NO2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.10925 |
Area: | 374.348 |
Solvation: | -1.24946 |
Coulombic: | -32.9115 |
Bond Count [?]
All: | 12 |
Single: | 11 |
Double: | 1 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 187.279 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.19 |
LogP (Chemaxon): | 1.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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