3-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]propanoic acid

3-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]propanoic acid

CAS: 92340-65-3

Formula: C12H12N2O4S

SMILES: COC1=CC=C2N=C(NC(=O)CCC(O)=O)SC2=C1

IUPAC: 3-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]propanoic acid

InChI: InChI=1S/C12H12N2O4S/c1-18-7-2-3-8-9(6-7)19-12(13-8)14-10(15)4-5-11(16)17/h2-3,6H,4-5H2,1H3,(H,16,17)(H,13,14,15)

Composition: C (51.42%), H (4.32%), N (9.99%), O (22.83%), S (11.44%)

Molar Mass: 280.3

Atom Count: 31

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	280.051778048
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	GMYHIQLHBHMJEP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.82
Topological Polar Surface Area	88.52
Polarizability	27.29
Ring Count	2
Rotatable Bond Count	5

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