2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]thiophene-3-carboxylic acid

C13H17NO3S — CID 66475692

IUPAC2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]thiophene-3-carboxylic acid
SMILESCC1(C)C(C(=O)Nc2sccc2C(=O)O)C1(C)C
InChIInChI=1S/C13H17NO3S/c1-12(2)8(13(12,3)4)9(15)14-10-7(11(16)17)5-6-18-10/h5-6,8H,1-4H3,(H,14,15)(H,16,17)
InChIKeyMDVWCFQQDNBRSN-UHFFFAOYSA-N
MW267.35 g/mol
LogP3.07
Rot. Bonds3

About 2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]thiophene-3-carboxylic acid

2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]thiophene-3-carboxylic acid (PubChem CID 66475692) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]thiophene-3-carboxylic acid
PubChem CID66475692
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]thiophene-3-carboxylic acid
SMILESCC1(C)C(C(=O)Nc2sccc2C(=O)O)C1(C)C
InChIInChI=1S/C13H17NO3S/c1-12(2)8(13(12,3)4)9(15)14-10-7(11(16)17)5-6-18-10/h5-6,8H,1-4H3,(H,14,15)(H,16,17)
InChIKeyMDVWCFQQDNBRSN-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropanecarbonylamino)thiophene-3-carboxylic acid
CID 16774057
2-[(3-hydroxy-3-methylazetidine-1-carbonyl)amino]thiophene-3-carboxylic acid
CID 107223804
2-[(2-methylcyclopentanecarbonyl)amino]thiophene-3-carboxylic acid
CID 107175082
2-[(3-hydroxy-2,2-dimethylcyclobutyl)carbamoylamino]thiophene-3-carboxylic acid
CID 114630339
2-[(2-methoxyacetyl)amino]thiophene-3-carboxylic acid
CID 16772284
2-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]thiophene-3-carboxylic acid
CID 102744842
2-[(3,3-dimethylcyclopentyl)carbamoylamino]thiophene-3-carboxylic acid
CID 114548192
2-benzamidothiophene-3-carboxylic acid
CID 16639461
2-(cyclopropylcarbamoylamino)thiophene-3-carboxylic acid
CID 62700415
2-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]thiophene-3-carboxylic acid
CID 167926285
2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid
CID 63113966
5-phenyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]thiophene-3-carboxylic acid
CID 68769318

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]thiophene-3-carboxylic acid (CID 66475692) is 2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]thiophene-3-carboxylic acid is CC1(C)C(C(=O)Nc2sccc2C(=O)O)C1(C)C.
What is the InChIKey of 2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]thiophene-3-carboxylic acid?
The InChIKey is MDVWCFQQDNBRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-12(2)8(13(12,3)4)9(15)14-10-7(11(16)17)5-6-18-10/h5-6,8H,1-4H3,(H,14,15)(H,16,17).
What are the key properties of 2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]thiophene-3-carboxylic acid?
2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]thiophene-3-carboxylic acid has a molecular weight of 267.35 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 66475692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).