Home Carboxys 4-{[2-carboxy-1-(thiophen-2-yl)ethyl]carbamoyl}-1H-imidazole-5-carboxylic acid

4-{[2-carboxy-1-(thiophen-2-yl)ethyl]carbamoyl}-1H-imidazole-5-carboxylic acid

CAS No.:
1485543-29-0
Catalog Number:
AG01BXUM
Molecular Formula:
C12H11N3O5S
Molecular Weight:
309.2978
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Product Description
Catalog Number:
AG01BXUM
Chemical Name:
4-{[2-carboxy-1-(thiophen-2-yl)ethyl]carbamoyl}-1H-imidazole-5-carboxylic acid
CAS Number:
1485543-29-0
Molecular Formula:
C12H11N3O5S
Molecular Weight:
309.2978
MDL Number:
MFCD30488041
IUPAC Name:
4-[(2-carboxy-1-thiophen-2-ylethyl)carbamoyl]-1H-imidazole-5-carboxylic acid
InChI:
InChI=1S/C12H11N3O5S/c16-8(17)4-6(7-2-1-3-21-7)15-11(18)9-10(12(19)20)14-5-13-9/h1-3,5-6H,4H2,(H,13,14)(H,15,18)(H,16,17)(H,19,20)
InChI Key:
BOBQNOOWWKHKPF-UHFFFAOYSA-N
SMILES:
OC(=O)CC(c1cccs1)NC(=O)c1nc[nH]c1C(=O)O
Properties
Complexity:
433  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.042g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
309.296g/mol
Monoisotopic Mass:
309.042g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
161A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties