2-[2-[(5-ethylthiophen-2-yl)methylamino]-2-oxoethoxy]acetic acid

C11H15NO4S — CID 106003719

IUPAC2-[2-[(5-ethylthiophen-2-yl)methylamino]-2-oxoethoxy]acetic acid
SMILESCCc1ccc(CNC(=O)COCC(=O)O)s1
InChIInChI=1S/C11H15NO4S/c1-2-8-3-4-9(17-8)5-12-10(13)6-16-7-11(14)15/h3-4H,2,5-7H2,1H3,(H,12,13)(H,14,15)
InChIKeyGQIVUVSSJSHDOV-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.03
Rot. Bonds7

About 2-[2-[(5-ethylthiophen-2-yl)methylamino]-2-oxoethoxy]acetic acid

2-[2-[(5-ethylthiophen-2-yl)methylamino]-2-oxoethoxy]acetic acid (PubChem CID 106003719) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-[2-[(5-ethylthiophen-2-yl)methylamino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(5-ethylthiophen-2-yl)methylamino]-2-oxoethoxy]acetic acid
PubChem CID106003719
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name2-[2-[(5-ethylthiophen-2-yl)methylamino]-2-oxoethoxy]acetic acid
SMILESCCc1ccc(CNC(=O)COCC(=O)O)s1
InChIInChI=1S/C11H15NO4S/c1-2-8-3-4-9(17-8)5-12-10(13)6-16-7-11(14)15/h3-4H,2,5-7H2,1H3,(H,12,13)(H,14,15)
InChIKeyGQIVUVSSJSHDOV-UHFFFAOYSA-N
XLogP1.03
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(5-bromothiophen-2-yl)methylamino]-2-oxoethoxy]acetic acid
CID 61328653
5-[[[2-(2-ethoxyethoxy)acetyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110493
4-[3-[(5-ethylthiophen-2-yl)methylamino]-3-oxopropyl]benzoic acid
CID 119181228
3-[(5-ethylthiophen-2-yl)methylcarbamoylamino]propanoic acid
CID 106005623
2-anilino-N-[(5-ethylthiophen-2-yl)methyl]acetamide;hydrochloride
CID 119727871
(3Z)-3-amino-N-[(5-ethylthiophen-2-yl)methyl]-3-hydroxyiminopropanamide
CID 106014338
(E)-4-[(5-ethylthiophen-2-yl)methylamino]-4-oxobut-2-enoic acid
CID 106003730
N-[(5-ethylthiophen-2-yl)methyl]-2-(prop-2-ynylamino)acetamide
CID 103825949
2-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-methylpropanamide
CID 103630100
2-[2-[(6-methyl-2-pyridinyl)methylamino]-2-oxoethoxy]acetic acid
CID 62323721
3-[ethyl-[(5-ethylthiophen-2-yl)methylcarbamoyl]amino]propanoic acid
CID 106005415
2-[tert-butyl-[(5-ethylthiophen-2-yl)methylcarbamoyl]amino]acetic acid
CID 106005579

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-ethylthiophen-2-yl)methylamino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[(5-ethylthiophen-2-yl)methylamino]-2-oxoethoxy]acetic acid (CID 106003719) is 2-[2-[(5-ethylthiophen-2-yl)methylamino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(5-ethylthiophen-2-yl)methylamino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[(5-ethylthiophen-2-yl)methylamino]-2-oxoethoxy]acetic acid is CCc1ccc(CNC(=O)COCC(=O)O)s1.
What is the InChIKey of 2-[2-[(5-ethylthiophen-2-yl)methylamino]-2-oxoethoxy]acetic acid?
The InChIKey is GQIVUVSSJSHDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-2-8-3-4-9(17-8)5-12-10(13)6-16-7-11(14)15/h3-4H,2,5-7H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-[2-[(5-ethylthiophen-2-yl)methylamino]-2-oxoethoxy]acetic acid?
2-[2-[(5-ethylthiophen-2-yl)methylamino]-2-oxoethoxy]acetic acid has a molecular weight of 257.31 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-ethylthiophen-2-yl)methylamino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 106003719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).