Chemical ID: 6671588

CCS(=O)(=O)CCC(C(=O)O)N
Chemical ID:
6671588
Name [?]:
2-amino-4-ethylsulfonyl-butanoic acid
SMILES [?]:
CCS(=O)(=O)CCC(C(=O)O)N
InChi [?]:
InChI=1/C6H13NO4S/c1-2-12(10,11)4-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)
InChi Info:
AuxInfo=1/1/N:1,2,7,6,8,9,12,10,11,4,5,3/E:(8,9)(10,11)/CRV:12.6/rA:12cCCSOOCCCCOON/rB:s1;s2;d3;d3;s3;s6;s7;s8;d9;s9;s8;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H13NO4S
All Atoms:12
Heavy Atoms:12
Chiral Atoms:1
ZAP Information [?]
Total:5.23995
Area:365.121
Solvation:-3.88807
Coulombic:-39.0789
Bond Count [?]
All:11
Single:8
Double:3
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:195.238
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:-2.72
LogP (Chemaxon):-3.94

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