Chemical ID: 5098166

Cc1ccc(s1)C(C(=O)O)N
Chemical ID:
5098166
Name [?]:
2-amino-2-(5-methyl-2-thienyl)-acetic acid
SMILES [?]:
Cc1ccc(s1)C(C(=O)O)N
InChi [?]:
InChI=1/C7H9NO2S/c1-4-2-3-5(11-4)6(8)7(9)10/h2-3,6H,8H2,1H3,(H,9,10)
InChi Info:
AuxInfo=1/1/N:1,3,4,2,5,7,8,11,9,10,6/E:(9,10)/rA:11cCCCCCSCCOON/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s7;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H9NO2S
All Atoms:11
Heavy Atoms:11
Chiral Atoms:1
ZAP Information [?]
Total:6.30518
Area:330.768
Solvation:-1.96402
Coulombic:-39.9058
Bond Count [?]
All:11
Single:8
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:171.218
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:-2.86
LogP (Chemaxon):-1.97

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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