Chemical ID: 4121263

CC(C(=O)O)NC1CCS(=O)(=O)C1
Chemical ID:
4121263
Name [?]:
2-(1,1-dioxothiolan-3-yl)aminopropanoic acid
SMILES [?]:
CC(C(=O)O)NC1CCS(=O)(=O)C1
InChi [?]:
InChI=1/C7H13NO4S/c1-5(7(9)10)8-6-2-3-13(11,12)4-6/h5-6,8H,2-4H2,1H3,(H,9,10)
InChi Info:
AuxInfo=1/1/N:1,8,9,13,2,7,3,6,4,5,11,12,10/E:(9,10)(11,12)/CRV:13.6/rA:13cCCCOONCCCSOOC/rB:s1;s2;d3;s3;s2;s6;s7;s8;s9;d10;d10;s7s10;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H13NO4S
All Atoms:13
Heavy Atoms:13
Chiral Atoms:2
ZAP Information [?]
Total:4.81631
Area:366.72
Solvation:-4.35171
Coulombic:-35.34
Bond Count [?]
All:13
Single:10
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:207.248
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:-0.33
LogP (Chemaxon):-3.8

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