Chemical ID: 6917957

CC(=CCSCC(C(=O)O)N)C
Chemical ID:
6917957
Name [?]:
2-amino-3-(3-methylbut-2-enylsulfanyl)propanoic acid
SMILES [?]:
CC(=CCSCC(C(=O)O)N)C
InChi [?]:
InChI=1/C8H15NO2S/c1-6(2)3-4-12-5-7(9)8(10)11/h3,7H,4-5,9H2,1-2H3,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,12,3,4,6,2,7,8,11,9,10,5/E:(1,2)(10,11)/rA:12cCCCCSCCCOONC/rB:s1;d2;s3;s4;s5;s6;s7;d8;s8;s7;s2;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H15NO2S
All Atoms:27
Heavy Atoms:12
Chiral Atoms:1
ZAP Information [?]
Total:7.55484
Area:386.573
Solvation:-2.1095
Coulombic:-40.7133
Bond Count [?]
All:11
Single:9
Double:2
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:189.276
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:-1.27
LogP (Chemaxon):-1.36

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