4-[ethyl-(2-thiophen-2-ylacetyl)amino]oxolane-3-carboxylic acid

C13H17NO4S — CID 66245055

IUPAC4-[ethyl-(2-thiophen-2-ylacetyl)amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)Cc1cccs1)C1COCC1C(=O)O
InChIInChI=1S/C13H17NO4S/c1-2-14(11-8-18-7-10(11)13(16)17)12(15)6-9-4-3-5-19-9/h3-5,10-11H,2,6-8H2,1H3,(H,16,17)
InChIKeyUDTCAQDFEFGTQO-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.24
Rot. Bonds5

About 4-[ethyl-(2-thiophen-2-ylacetyl)amino]oxolane-3-carboxylic acid

4-[ethyl-(2-thiophen-2-ylacetyl)amino]oxolane-3-carboxylic acid (PubChem CID 66245055) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is 4-[ethyl-(2-thiophen-2-ylacetyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl-(2-thiophen-2-ylacetyl)amino]oxolane-3-carboxylic acid
PubChem CID66245055
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Name4-[ethyl-(2-thiophen-2-ylacetyl)amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)Cc1cccs1)C1COCC1C(=O)O
InChIInChI=1S/C13H17NO4S/c1-2-14(11-8-18-7-10(11)13(16)17)12(15)6-9-4-3-5-19-9/h3-5,10-11H,2,6-8H2,1H3,(H,16,17)
InChIKeyUDTCAQDFEFGTQO-UHFFFAOYSA-N
XLogP1.24
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[ethyl(thiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 66247016
4-[ethyl-[2-(4-methylphenyl)acetyl]amino]oxolane-3-carboxylic acid
CID 66246021
4-[(2-amino-2-thiophen-2-ylacetyl)-ethylamino]oxolane-3-carboxylic acid
CID 115287451
4-[ethyl-(2-fluorobenzoyl)amino]oxolane-3-carboxylic acid
CID 66245238
4-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66265939
4-[(2-acetamidoacetyl)-ethylamino]oxolane-3-carboxylic acid
CID 66245449
4-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]oxolane-3-carboxylic acid
CID 66246837
4-[(2,3-dimethylbenzoyl)-ethylamino]oxolane-3-carboxylic acid
CID 66246027
4-[ethyl-(2-methylsulfanylbenzoyl)amino]oxolane-3-carboxylic acid
CID 66248007
4-[(3,4-dihydroxybenzoyl)-ethylamino]oxolane-3-carboxylic acid
CID 107728145
4-[ethyl(pyridin-4-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66245923
4-[ethyl-[(2-fluorophenyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66246238

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-(2-thiophen-2-ylacetyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl-(2-thiophen-2-ylacetyl)amino]oxolane-3-carboxylic acid (CID 66245055) is 4-[ethyl-(2-thiophen-2-ylacetyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl-(2-thiophen-2-ylacetyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl-(2-thiophen-2-ylacetyl)amino]oxolane-3-carboxylic acid is CCN(C(=O)Cc1cccs1)C1COCC1C(=O)O.
What is the InChIKey of 4-[ethyl-(2-thiophen-2-ylacetyl)amino]oxolane-3-carboxylic acid?
The InChIKey is UDTCAQDFEFGTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-2-14(11-8-18-7-10(11)13(16)17)12(15)6-9-4-3-5-19-9/h3-5,10-11H,2,6-8H2,1H3,(H,16,17).
What are the key properties of 4-[ethyl-(2-thiophen-2-ylacetyl)amino]oxolane-3-carboxylic acid?
4-[ethyl-(2-thiophen-2-ylacetyl)amino]oxolane-3-carboxylic acid has a molecular weight of 283.35 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-(2-thiophen-2-ylacetyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66245055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).