Chemical ID: 3995952

CC(C)C(C(=O)OC)N
Chemical ID:
3995952
Name [?]:
methyl 2-amino-3-methyl-butanoate
SMILES [?]:
CC(C)C(C(=O)OC)N
InChi [?]:
InChI=1/C6H13NO2/c1-4(2)5(7)6(8)9-3/h4-5H,7H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,8,2,4,5,9,6,7/E:(1,2)/rA:9cCCCCCOOCN/rB:s1;s2;s2;s4;d5;s5;s7;s4;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H13NO2
All Atoms:9
Heavy Atoms:9
Chiral Atoms:1
ZAP Information [?]
Total:5.57818
Area:293.841
Solvation:-1.76784
Coulombic:-31.6172
Bond Count [?]
All:8
Single:7
Double:1
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:131.173
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:0.32
LogP (Chemaxon):0.37

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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