2-[1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclobutyl]-1H-imidazole-5-carboxylic acid

C11H15N3O6S — CID 61359725

IUPAC2-[1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclobutyl]-1H-imidazole-5-carboxylic acid
SMILESCOC(=O)CS(=O)(=O)NC1(c2ncc(C(=O)O)[nH]2)CCC1
InChIInChI=1S/C11H15N3O6S/c1-20-8(15)6-21(18,19)14-11(3-2-4-11)10-12-5-7(13-10)9(16)17/h5,14H,2-4,6H2,1H3,(H,12,13)(H,16,17)
InChIKeyJWDZSBSWBUCEBA-UHFFFAOYSA-N
MW317.32 g/mol
LogP-0.42
Rot. Bonds6

About 2-[1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclobutyl]-1H-imidazole-5-carboxylic acid

2-[1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclobutyl]-1H-imidazole-5-carboxylic acid (PubChem CID 61359725) has the molecular formula C11H15N3O6S and a molecular weight of 317.32 g/mol. Its IUPAC name is 2-[1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclobutyl]-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclobutyl]-1H-imidazole-5-carboxylic acid
PubChem CID61359725
Molecular FormulaC11H15N3O6S
Molecular Weight317.32 g/mol
Exact Mass317.07
IUPAC Name2-[1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclobutyl]-1H-imidazole-5-carboxylic acid
SMILESCOC(=O)CS(=O)(=O)NC1(c2ncc(C(=O)O)[nH]2)CCC1
InChIInChI=1S/C11H15N3O6S/c1-20-8(15)6-21(18,19)14-11(3-2-4-11)10-12-5-7(13-10)9(16)17/h5,14H,2-4,6H2,1H3,(H,12,13)(H,16,17)
InChIKeyJWDZSBSWBUCEBA-UHFFFAOYSA-N
XLogP-0.42
TPSA138.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclobutyl]-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2-[1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclobutyl]-1H-imidazole-5-carboxylic acid (CID 61359725) is 2-[1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclobutyl]-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2-[1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclobutyl]-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2-[1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclobutyl]-1H-imidazole-5-carboxylic acid is COC(=O)CS(=O)(=O)NC1(c2ncc(C(=O)O)[nH]2)CCC1.
What is the InChIKey of 2-[1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclobutyl]-1H-imidazole-5-carboxylic acid?
The InChIKey is JWDZSBSWBUCEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O6S/c1-20-8(15)6-21(18,19)14-11(3-2-4-11)10-12-5-7(13-10)9(16)17/h5,14H,2-4,6H2,1H3,(H,12,13)(H,16,17).
What are the key properties of 2-[1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclobutyl]-1H-imidazole-5-carboxylic acid?
2-[1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclobutyl]-1H-imidazole-5-carboxylic acid has a molecular weight of 317.32 g/mol, XLogP of -0.42, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclobutyl]-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 61359725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).