5-[[[2-(2-ethoxyethoxy)acetyl]amino]methyl]thiophene-2-carboxylic acid

C12H17NO5S — CID 122110493

IUPAC5-[[[2-(2-ethoxyethoxy)acetyl]amino]methyl]thiophene-2-carboxylic acid
SMILESCCOCCOCC(=O)NCc1ccc(C(=O)O)s1
InChIInChI=1S/C12H17NO5S/c1-2-17-5-6-18-8-11(14)13-7-9-3-4-10(19-9)12(15)16/h3-4H,2,5-8H2,1H3,(H,13,14)(H,15,16)
InChIKeyQFFYBIUDZYTOTB-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.12
Rot. Bonds9

About 5-[[[2-(2-ethoxyethoxy)acetyl]amino]methyl]thiophene-2-carboxylic acid

5-[[[2-(2-ethoxyethoxy)acetyl]amino]methyl]thiophene-2-carboxylic acid (PubChem CID 122110493) has the molecular formula C12H17NO5S and a molecular weight of 287.34 g/mol. Its IUPAC name is 5-[[[2-(2-ethoxyethoxy)acetyl]amino]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[2-(2-ethoxyethoxy)acetyl]amino]methyl]thiophene-2-carboxylic acid
PubChem CID122110493
Molecular FormulaC12H17NO5S
Molecular Weight287.34 g/mol
Exact Mass287.08
IUPAC Name5-[[[2-(2-ethoxyethoxy)acetyl]amino]methyl]thiophene-2-carboxylic acid
SMILESCCOCCOCC(=O)NCc1ccc(C(=O)O)s1
InChIInChI=1S/C12H17NO5S/c1-2-17-5-6-18-8-11(14)13-7-9-3-4-10(19-9)12(15)16/h3-4H,2,5-8H2,1H3,(H,13,14)(H,15,16)
InChIKeyQFFYBIUDZYTOTB-UHFFFAOYSA-N
XLogP1.12
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(5-ethylthiophen-2-yl)methylamino]-2-oxoethoxy]acetic acid
CID 106003719
5-[(methoxyamino)methyl]thiophene-2-carboxylic acid
CID 103254308
5-[(methylcarbamoylamino)methyl]thiophene-2-carboxylic acid
CID 84680344
5-[[4-(5-methylthiophen-2-yl)butanoylamino]methyl]thiophene-2-carboxylic acid
CID 122110444
5-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]thiophene-2-carboxylic acid
CID 103238410
5-[[[4-oxo-4-(4-propoxyphenyl)butanoyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110305
5-[(3,5-dimethylhexanoylamino)methyl]thiophene-2-carboxylic acid
CID 122110661
5-[(2-propoxyacetyl)amino]thiophene-2-carboxylic acid
CID 107937745
N-[(5-bromothiophen-2-yl)methyl]-4-ethoxybutanamide
CID 112728063
5-[[(2-ethoxy-2-phenylacetyl)amino]methyl]thiophene-2-carboxylic acid
CID 122110496
5-(propoxymethyl)thiophene-2-carboxylic acid
CID 63380315
5-[[[2-[3-(4-methylphenyl)propanoylamino]acetyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110702

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-(2-ethoxyethoxy)acetyl]amino]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[[2-(2-ethoxyethoxy)acetyl]amino]methyl]thiophene-2-carboxylic acid (CID 122110493) is 5-[[[2-(2-ethoxyethoxy)acetyl]amino]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[[2-(2-ethoxyethoxy)acetyl]amino]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[[2-(2-ethoxyethoxy)acetyl]amino]methyl]thiophene-2-carboxylic acid is CCOCCOCC(=O)NCc1ccc(C(=O)O)s1.
What is the InChIKey of 5-[[[2-(2-ethoxyethoxy)acetyl]amino]methyl]thiophene-2-carboxylic acid?
The InChIKey is QFFYBIUDZYTOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5S/c1-2-17-5-6-18-8-11(14)13-7-9-3-4-10(19-9)12(15)16/h3-4H,2,5-8H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 5-[[[2-(2-ethoxyethoxy)acetyl]amino]methyl]thiophene-2-carboxylic acid?
5-[[[2-(2-ethoxyethoxy)acetyl]amino]methyl]thiophene-2-carboxylic acid has a molecular weight of 287.34 g/mol, XLogP of 1.12, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-(2-ethoxyethoxy)acetyl]amino]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 122110493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).