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Chemical ID: 5011052
Chemical ID:
5011052
Name [?]:
butyl 2-amino-4-methyl-pentanoate
SMILES [?]:
CCCCOC(=O)C(CC(C)C)N
InChi [?]:
InChI=1/C10H21NO2/c1-4-5-6-13-10(12)9(11)7-8(2)3/h8-9H,4-7,11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,11,12,2,3,4,9,10,8,6,13,7,5/E:(2,3)/rA:13cCCCCOCOCCCCCN/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s10;s8;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H21NO2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.75761 |
Area: | 406.644 |
Solvation: | -1.40848 |
Coulombic: | -33.1531 |
Bond Count [?]
All: | 12 |
Single: | 11 |
Double: | 1 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 187.279 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.45 |
LogP (Chemaxon): | 1.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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