2-[(3-hydroxy-2,2-dimethylcyclobutyl)carbamoylamino]thiophene-3-carboxylic acid

C12H16N2O4S — CID 114630339

IUPAC2-[(3-hydroxy-2,2-dimethylcyclobutyl)carbamoylamino]thiophene-3-carboxylic acid
SMILESCC1(C)C(O)CC1NC(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C12H16N2O4S/c1-12(2)7(5-8(12)15)13-11(18)14-9-6(10(16)17)3-4-19-9/h3-4,7-8,15H,5H2,1-2H3,(H,16,17)(H2,13,14,18)
InChIKeyHPULURMAKPGXEX-UHFFFAOYSA-N
MW284.34 g/mol
LogP1.73
Rot. Bonds3

About 2-[(3-hydroxy-2,2-dimethylcyclobutyl)carbamoylamino]thiophene-3-carboxylic acid

2-[(3-hydroxy-2,2-dimethylcyclobutyl)carbamoylamino]thiophene-3-carboxylic acid (PubChem CID 114630339) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-[(3-hydroxy-2,2-dimethylcyclobutyl)carbamoylamino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3-hydroxy-2,2-dimethylcyclobutyl)carbamoylamino]thiophene-3-carboxylic acid
PubChem CID114630339
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name2-[(3-hydroxy-2,2-dimethylcyclobutyl)carbamoylamino]thiophene-3-carboxylic acid
SMILESCC1(C)C(O)CC1NC(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C12H16N2O4S/c1-12(2)7(5-8(12)15)13-11(18)14-9-6(10(16)17)3-4-19-9/h3-4,7-8,15H,5H2,1-2H3,(H,16,17)(H2,13,14,18)
InChIKeyHPULURMAKPGXEX-UHFFFAOYSA-N
XLogP1.73
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylcarbamoylamino)thiophene-3-carboxylic acid
CID 62700415
2-[(3,3-dimethylcyclopentyl)carbamoylamino]thiophene-3-carboxylic acid
CID 114548192
2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]thiophene-3-carboxylic acid
CID 66475692
2-[[(1R,2R)-2-hydroxycyclohexyl]carbamoylamino]thiophene-3-carboxylic acid
CID 107223856
2-[(2-phenylcyclopropyl)carbamoylamino]thiophene-3-carboxylic acid
CID 63114828
3-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]thiophene-2-carboxylic acid
CID 103267220
3-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)thiophene-2-carboxamide
CID 114628267
2-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]thiophene-3-carboxylic acid
CID 102744842
2-(cyclopropanecarbonylamino)thiophene-3-carboxylic acid
CID 16774057
1-(4-cyanophenyl)-3-(3-hydroxy-2,2-dimethylcyclobutyl)urea
CID 114631440
N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-phenylthiophene-2-carboxamide
CID 114631082
2-[(1-ethylpiperidin-3-yl)carbamoylamino]thiophene-3-carboxylic acid
CID 63114425

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-2,2-dimethylcyclobutyl)carbamoylamino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[(3-hydroxy-2,2-dimethylcyclobutyl)carbamoylamino]thiophene-3-carboxylic acid (CID 114630339) is 2-[(3-hydroxy-2,2-dimethylcyclobutyl)carbamoylamino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(3-hydroxy-2,2-dimethylcyclobutyl)carbamoylamino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[(3-hydroxy-2,2-dimethylcyclobutyl)carbamoylamino]thiophene-3-carboxylic acid is CC1(C)C(O)CC1NC(=O)Nc1sccc1C(=O)O.
What is the InChIKey of 2-[(3-hydroxy-2,2-dimethylcyclobutyl)carbamoylamino]thiophene-3-carboxylic acid?
The InChIKey is HPULURMAKPGXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-12(2)7(5-8(12)15)13-11(18)14-9-6(10(16)17)3-4-19-9/h3-4,7-8,15H,5H2,1-2H3,(H,16,17)(H2,13,14,18).
What are the key properties of 2-[(3-hydroxy-2,2-dimethylcyclobutyl)carbamoylamino]thiophene-3-carboxylic acid?
2-[(3-hydroxy-2,2-dimethylcyclobutyl)carbamoylamino]thiophene-3-carboxylic acid has a molecular weight of 284.34 g/mol, XLogP of 1.73, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-2,2-dimethylcyclobutyl)carbamoylamino]thiophene-3-carboxylic acid is sourced from PubChem (CID 114630339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).