4-[ethyl(thiophene-2-carbonyl)amino]oxolane-3-carboxylic acid

C12H15NO4S — CID 66247016

IUPAC4-[ethyl(thiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)c1cccs1)C1COCC1C(=O)O
InChIInChI=1S/C12H15NO4S/c1-2-13(11(14)10-4-3-5-18-10)9-7-17-6-8(9)12(15)16/h3-5,8-9H,2,6-7H2,1H3,(H,15,16)
InChIKeyVOKQTLCTSHSNDN-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.31
Rot. Bonds4

About 4-[ethyl(thiophene-2-carbonyl)amino]oxolane-3-carboxylic acid

4-[ethyl(thiophene-2-carbonyl)amino]oxolane-3-carboxylic acid (PubChem CID 66247016) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is 4-[ethyl(thiophene-2-carbonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl(thiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
PubChem CID66247016
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name4-[ethyl(thiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)c1cccs1)C1COCC1C(=O)O
InChIInChI=1S/C12H15NO4S/c1-2-13(11(14)10-4-3-5-18-10)9-7-17-6-8(9)12(15)16/h3-5,8-9H,2,6-7H2,1H3,(H,15,16)
InChIKeyVOKQTLCTSHSNDN-UHFFFAOYSA-N
XLogP1.31
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[ethyl-(2-thiophen-2-ylacetyl)amino]oxolane-3-carboxylic acid
CID 66245055
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-[(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-[(3-bromo-2-fluorobenzoyl)-ethylamino]oxolane-3-carboxylic acid
CID 107949307
4-[(2,4-dichlorobenzoyl)-ethylamino]oxolane-3-carboxylic acid
CID 66245241
4-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]oxolane-3-carboxylic acid
CID 66221609
4-[(5-chloro-2-methylbenzoyl)-ethylamino]oxolane-3-carboxylic acid
CID 82872052
4-[ethyl-(2-methylpyridine-4-carbonyl)amino]oxolane-3-carboxylic acid
CID 106752679

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(thiophene-2-carbonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl(thiophene-2-carbonyl)amino]oxolane-3-carboxylic acid (CID 66247016) is 4-[ethyl(thiophene-2-carbonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl(thiophene-2-carbonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl(thiophene-2-carbonyl)amino]oxolane-3-carboxylic acid is CCN(C(=O)c1cccs1)C1COCC1C(=O)O.
What is the InChIKey of 4-[ethyl(thiophene-2-carbonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is VOKQTLCTSHSNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4S/c1-2-13(11(14)10-4-3-5-18-10)9-7-17-6-8(9)12(15)16/h3-5,8-9H,2,6-7H2,1H3,(H,15,16).
What are the key properties of 4-[ethyl(thiophene-2-carbonyl)amino]oxolane-3-carboxylic acid?
4-[ethyl(thiophene-2-carbonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 269.32 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(thiophene-2-carbonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66247016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).