5-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]thiophene-2-carboxylic acid

C13H17NO3S — CID 79356602

IUPAC5-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]thiophene-2-carboxylic acid
SMILESCC1(C)C(NC(=O)c2ccc(C(=O)O)s2)C1(C)C
InChIInChI=1S/C13H17NO3S/c1-12(2)11(13(12,3)4)14-9(15)7-5-6-8(18-7)10(16)17/h5-6,11H,1-4H3,(H,14,15)(H,16,17)
InChIKeyCSWQVPHZXNGHIE-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.61
Rot. Bonds3

About 5-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]thiophene-2-carboxylic acid

5-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]thiophene-2-carboxylic acid (PubChem CID 79356602) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 5-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]thiophene-2-carboxylic acid
PubChem CID79356602
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name5-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]thiophene-2-carboxylic acid
SMILESCC1(C)C(NC(=O)c2ccc(C(=O)O)s2)C1(C)C
InChIInChI=1S/C13H17NO3S/c1-12(2)11(13(12,3)4)14-9(15)7-5-6-8(18-7)10(16)17/h5-6,11H,1-4H3,(H,14,15)(H,16,17)
InChIKeyCSWQVPHZXNGHIE-UHFFFAOYSA-N
XLogP2.61
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-methoxy-2,2,3-trimethylcyclobutyl)carbamoyl]thiophene-2-carboxylic acid
CID 119187199
5-[(3-methylcyclobutyl)carbamoyl]thiophene-2-carboxylic acid
CID 115910451
4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]benzoic acid
CID 79356507
5-[(1-methylcyclopentyl)carbamoyl]thiophene-2-carboxylic acid
CID 64688073
thiophene-2,5-dicarboxylic acid;dihydrochloride
CID 68502106
5-[(3-ethoxy-2,2-dimethylcyclobutyl)carbamoyl]thiophene-2-carboxylic acid
CID 103790354
5-[(2,2-diethyloxan-4-yl)carbamoyl]thiophene-2-carboxylic acid
CID 83035065
5-(phenylcarbamoyl)thiophene-2-carboxylic acid
CID 43414375
5-[(2-cyclohexylcyclopropyl)carbamoyl]thiophene-2-carboxylic acid
CID 119186619
hydrazine;5-methoxycarbonylthiophene-2-carboxylic acid
CID 159424463
4-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79350622
5-[(3-methyl-1,1-dioxothiolan-3-yl)carbamoyl]thiophene-2-carboxylic acid
CID 60722078

Frequently Asked Questions

What is the IUPAC name of 5-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]thiophene-2-carboxylic acid (CID 79356602) is 5-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]thiophene-2-carboxylic acid is CC1(C)C(NC(=O)c2ccc(C(=O)O)s2)C1(C)C.
What is the InChIKey of 5-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]thiophene-2-carboxylic acid?
The InChIKey is CSWQVPHZXNGHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-12(2)11(13(12,3)4)14-9(15)7-5-6-8(18-7)10(16)17/h5-6,11H,1-4H3,(H,14,15)(H,16,17).
What are the key properties of 5-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]thiophene-2-carboxylic acid?
5-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]thiophene-2-carboxylic acid has a molecular weight of 267.35 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 79356602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).