2-[2-oxo-2-(1-thiophen-3-ylethylamino)ethoxy]acetic acid

C10H13NO4S — CID 62841517

IUPAC2-[2-oxo-2-(1-thiophen-3-ylethylamino)ethoxy]acetic acid
SMILESCC(NC(=O)COCC(=O)O)c1ccsc1
InChIInChI=1S/C10H13NO4S/c1-7(8-2-3-16-6-8)11-9(12)4-15-5-10(13)14/h2-3,6-7H,4-5H2,1H3,(H,11,12)(H,13,14)
InChIKeyOADBIEFKBXKYPY-UHFFFAOYSA-N
MW243.28 g/mol
LogP1.03
Rot. Bonds6

About 2-[2-oxo-2-(1-thiophen-3-ylethylamino)ethoxy]acetic acid

2-[2-oxo-2-(1-thiophen-3-ylethylamino)ethoxy]acetic acid (PubChem CID 62841517) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is 2-[2-oxo-2-(1-thiophen-3-ylethylamino)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-2-(1-thiophen-3-ylethylamino)ethoxy]acetic acid
PubChem CID62841517
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Name2-[2-oxo-2-(1-thiophen-3-ylethylamino)ethoxy]acetic acid
SMILESCC(NC(=O)COCC(=O)O)c1ccsc1
InChIInChI=1S/C10H13NO4S/c1-7(8-2-3-16-6-8)11-9(12)4-15-5-10(13)14/h2-3,6-7H,4-5H2,1H3,(H,11,12)(H,13,14)
InChIKeyOADBIEFKBXKYPY-UHFFFAOYSA-N
XLogP1.03
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methylpropan-2-yl)oxy]-N-(1-thiophen-3-ylethyl)acetamide
CID 112605150
2-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethoxy]acetic acid
CID 17267498
2-chloro-N-(1-thiophen-3-ylethyl)acetamide
CID 62842251
2-[2-oxo-2-(1-phenylethylamino)ethoxy]-N-(1-phenylethyl)acetamide
CID 85140182
2-(tert-butylamino)-N-(1-thiophen-3-ylethyl)acetamide
CID 79257384
2-[2-oxo-2-(1-pyridin-3-ylethylamino)ethoxy]acetic acid
CID 61328794
2-[2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethoxy]acetic acid
CID 60708265
2-(2-aminophenoxy)-N-(1-thiophen-3-ylethyl)acetamide
CID 62840774
1-hydroxy-3-(1-thiophen-3-ylethyl)urea
CID 23821299
2-[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethoxy]acetic acid
CID 81408914
(2S,3S)-2-amino-3-methyl-N-(1-thiophen-3-ylethyl)pentanamide
CID 62844569
3-methoxy-2-(1-thiophen-3-ylethylcarbamoylamino)propanoic acid
CID 81080977

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(1-thiophen-3-ylethylamino)ethoxy]acetic acid?
The IUPAC name of 2-[2-oxo-2-(1-thiophen-3-ylethylamino)ethoxy]acetic acid (CID 62841517) is 2-[2-oxo-2-(1-thiophen-3-ylethylamino)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-oxo-2-(1-thiophen-3-ylethylamino)ethoxy]acetic acid?
The canonical SMILES for 2-[2-oxo-2-(1-thiophen-3-ylethylamino)ethoxy]acetic acid is CC(NC(=O)COCC(=O)O)c1ccsc1.
What is the InChIKey of 2-[2-oxo-2-(1-thiophen-3-ylethylamino)ethoxy]acetic acid?
The InChIKey is OADBIEFKBXKYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-7(8-2-3-16-6-8)11-9(12)4-15-5-10(13)14/h2-3,6-7H,4-5H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-[2-oxo-2-(1-thiophen-3-ylethylamino)ethoxy]acetic acid?
2-[2-oxo-2-(1-thiophen-3-ylethylamino)ethoxy]acetic acid has a molecular weight of 243.28 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-(1-thiophen-3-ylethylamino)ethoxy]acetic acid is sourced from PubChem (CID 62841517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).