2-[(3-ethylthiophene-2-carbonyl)amino]oxyacetic acid

C9H11NO4S — CID 63913393

IUPAC2-[(3-ethylthiophene-2-carbonyl)amino]oxyacetic acid
SMILESCCc1ccsc1C(=O)NOCC(=O)O
InChIInChI=1S/C9H11NO4S/c1-2-6-3-4-15-8(6)9(13)10-14-5-7(11)12/h3-4H,2,5H2,1H3,(H,10,13)(H,11,12)
InChIKeyZCYSKDJKHFMRCW-UHFFFAOYSA-N
MW229.26 g/mol
LogP1.06
Rot. Bonds5

About 2-[(3-ethylthiophene-2-carbonyl)amino]oxyacetic acid

2-[(3-ethylthiophene-2-carbonyl)amino]oxyacetic acid (PubChem CID 63913393) has the molecular formula C9H11NO4S and a molecular weight of 229.26 g/mol. Its IUPAC name is 2-[(3-ethylthiophene-2-carbonyl)amino]oxyacetic acid.

Molecular Properties

Compound Name2-[(3-ethylthiophene-2-carbonyl)amino]oxyacetic acid
PubChem CID63913393
Molecular FormulaC9H11NO4S
Molecular Weight229.26 g/mol
Exact Mass229.04
IUPAC Name2-[(3-ethylthiophene-2-carbonyl)amino]oxyacetic acid
SMILESCCc1ccsc1C(=O)NOCC(=O)O
InChIInChI=1S/C9H11NO4S/c1-2-6-3-4-15-8(6)9(13)10-14-5-7(11)12/h3-4H,2,5H2,1H3,(H,10,13)(H,11,12)
InChIKeyZCYSKDJKHFMRCW-UHFFFAOYSA-N
XLogP1.06
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-Methylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 69522912
3-fluoro-N-(2-hydroxyethoxy)-4-methylthiophene-2-carboxamide
CID 89833695
2-fluoro-N-(2-hydroxy-2-methylpropoxy)-5-methylthiophene-3-carboxamide
CID 89833699
N-(2-hydroxyethoxy)-5-methyl-3-(trifluoromethyl)thiophene-2-carboxamide
CID 89833736
2-fluoro-N-(2-hydroxyethoxy)-5-methylthiophene-3-carboxamide
CID 89833747
N-(2-hydroxyethoxy)-3-(trifluoromethyl)thiophene-2-carboxamide
CID 89833811
N-(2-hydroxyethoxy)-5-methyl-2-(trifluoromethyl)thiophene-3-carboxamide
CID 117914760
N-(2-hydroxyethoxy)-2-(trifluoromethyl)thiophene-3-carboxamide
CID 155372027
3-(4-hydroxybut-2-enyl)-N-methoxythiophene-2-carboxamide
CID 134951981
3-ethyl-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide
CID 81343333
3-methyl-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide
CID 81343591
(Thiophene-2-carbonylamino) propanoate
CID 57189905

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylthiophene-2-carbonyl)amino]oxyacetic acid?
The IUPAC name of 2-[(3-ethylthiophene-2-carbonyl)amino]oxyacetic acid (CID 63913393) is 2-[(3-ethylthiophene-2-carbonyl)amino]oxyacetic acid.
What is the SMILES notation for 2-[(3-ethylthiophene-2-carbonyl)amino]oxyacetic acid?
The canonical SMILES for 2-[(3-ethylthiophene-2-carbonyl)amino]oxyacetic acid is CCc1ccsc1C(=O)NOCC(=O)O.
What is the InChIKey of 2-[(3-ethylthiophene-2-carbonyl)amino]oxyacetic acid?
The InChIKey is ZCYSKDJKHFMRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4S/c1-2-6-3-4-15-8(6)9(13)10-14-5-7(11)12/h3-4H,2,5H2,1H3,(H,10,13)(H,11,12).
What are the key properties of 2-[(3-ethylthiophene-2-carbonyl)amino]oxyacetic acid?
2-[(3-ethylthiophene-2-carbonyl)amino]oxyacetic acid has a molecular weight of 229.26 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylthiophene-2-carbonyl)amino]oxyacetic acid is sourced from PubChem (CID 63913393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).