Chemical ID: 5011052

CCCCOC(=O)C(CC(C)C)N
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue