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Chemical ID: 4121263
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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