3-[2-(cyclopropylamino)-2-oxoethoxy]thiophene-2-carboxylic acid

C10H11NO4S — CID 63338308

IUPAC3-[2-(cyclopropylamino)-2-oxoethoxy]thiophene-2-carboxylic acid
SMILESO=C(COc1ccsc1C(=O)O)NC1CC1
InChIInChI=1S/C10H11NO4S/c12-8(11-6-1-2-6)5-15-7-3-4-16-9(7)10(13)14/h3-4,6H,1-2,5H2,(H,11,12)(H,13,14)
InChIKeyGQQANYQGALSSJH-UHFFFAOYSA-N
MW241.27 g/mol
LogP1.10
Rot. Bonds5

About 3-[2-(cyclopropylamino)-2-oxoethoxy]thiophene-2-carboxylic acid

3-[2-(cyclopropylamino)-2-oxoethoxy]thiophene-2-carboxylic acid (PubChem CID 63338308) has the molecular formula C10H11NO4S and a molecular weight of 241.27 g/mol. Its IUPAC name is 3-[2-(cyclopropylamino)-2-oxoethoxy]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[2-(cyclopropylamino)-2-oxoethoxy]thiophene-2-carboxylic acid
PubChem CID63338308
Molecular FormulaC10H11NO4S
Molecular Weight241.27 g/mol
Exact Mass241.04
IUPAC Name3-[2-(cyclopropylamino)-2-oxoethoxy]thiophene-2-carboxylic acid
SMILESO=C(COc1ccsc1C(=O)O)NC1CC1
InChIInChI=1S/C10H11NO4S/c12-8(11-6-1-2-6)5-15-7-3-4-16-9(7)10(13)14/h3-4,6H,1-2,5H2,(H,11,12)(H,13,14)
InChIKeyGQQANYQGALSSJH-UHFFFAOYSA-N
XLogP1.10
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(cycloheptylamino)-2-oxoethoxy]thiophene-2-carboxylic acid
CID 63336579
3-[2-(oxan-4-ylamino)-2-oxoethoxy]thiophene-2-carboxylic acid
CID 63336144
3-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethoxy]thiophene-2-carboxylic acid
CID 63338225
3-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]thiophene-2-carboxylic acid
CID 63336180
3-[2-(4-bromoanilino)-2-oxoethoxy]thiophene-2-carboxylic acid
CID 63338003
N-cyclopropyl-2-(2-hydroxyphenoxy)acetamide
CID 2687934
3-[2-(2,5-dichloroanilino)-2-oxoethoxy]thiophene-2-carboxylic acid
CID 63336099
[2-(cycloheptylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate
CID 62574037
N-cyclopropyl-2-(2,5-dimethylphenoxy)acetamide
CID 4113350
3-chloro-4-[2-(cyclobutylamino)-2-oxoethoxy]benzoic acid
CID 146171644
2-(2-methylphenoxy)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]acetamide
CID 90597199
N-cyclopropyl-2-(2,3-dimethoxyphenoxy)acetamide
CID 112978329

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopropylamino)-2-oxoethoxy]thiophene-2-carboxylic acid?
The IUPAC name of 3-[2-(cyclopropylamino)-2-oxoethoxy]thiophene-2-carboxylic acid (CID 63338308) is 3-[2-(cyclopropylamino)-2-oxoethoxy]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[2-(cyclopropylamino)-2-oxoethoxy]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[2-(cyclopropylamino)-2-oxoethoxy]thiophene-2-carboxylic acid is O=C(COc1ccsc1C(=O)O)NC1CC1.
What is the InChIKey of 3-[2-(cyclopropylamino)-2-oxoethoxy]thiophene-2-carboxylic acid?
The InChIKey is GQQANYQGALSSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4S/c12-8(11-6-1-2-6)5-15-7-3-4-16-9(7)10(13)14/h3-4,6H,1-2,5H2,(H,11,12)(H,13,14).
What are the key properties of 3-[2-(cyclopropylamino)-2-oxoethoxy]thiophene-2-carboxylic acid?
3-[2-(cyclopropylamino)-2-oxoethoxy]thiophene-2-carboxylic acid has a molecular weight of 241.27 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopropylamino)-2-oxoethoxy]thiophene-2-carboxylic acid is sourced from PubChem (CID 63338308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).