Home Carboxys 1-(carbamoylamino)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid

1-(carbamoylamino)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid

CAS No.:
1378700-07-2
Catalog Number:
AG01C2CJ
Molecular Formula:
C8H11N3O3
Molecular Weight:
197.1912
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Product Description
Catalog Number:
AG01C2CJ
Chemical Name:
1-(carbamoylamino)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
CAS Number:
1378700-07-2
Molecular Formula:
C8H11N3O3
Molecular Weight:
197.1912
MDL Number:
MFCD20642336
IUPAC Name:
1-(carbamoylamino)-2,5-dimethylpyrrole-3-carboxylic acid
InChI:
InChI=1S/C8H11N3O3/c1-4-3-6(7(12)13)5(2)11(4)10-8(9)14/h3H,1-2H3,(H,12,13)(H3,9,10,14)
InChI Key:
VIXOTYHJAIKUOY-UHFFFAOYSA-N
SMILES:
NC(=O)Nn1c(C)cc(c1C)C(=O)O
Properties
Complexity:
256  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.08g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
197.194g/mol
Monoisotopic Mass:
197.08g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
97.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties