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Chemical ID: 4796522
Chemical ID:
4796522
Name [?]:
2-[(3-methyl-1,1-dioxo-thiolan-3-yl)carbamoylamino]acetic acid
SMILES [?]:
CC1(CCS(=O)(=O)C1)NC(=O)NCC(=O)O
InChi [?]:
InChI=1/C8H14N2O5S/c1-8(2-3-16(14,15)5-8)10-7(13)9-4-6(11)12/h2-5H2,1H3,(H,11,12)(H2,9,10,13)
InChi Info:
AuxInfo=1/1/N:1,3,4,13,8,14,10,2,12,9,15,16,11,6,7,5/E:(11,12)(14,15)/CRV:16.6/rA:16cCCCCSOOCNCONCCOO/rB:s1;s2;s3;s4;d5;d5;s2s5;s2;s9;d10;s10;s12;s13;d14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H14N2O5S |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.94037 |
Area: | 414.276 |
Solvation: | -4.41653 |
Coulombic: | -61.1093 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 250.273 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 7 |
XLogP: | -0.92 |
LogP (Chemaxon): | -2.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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