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

C12H15NO4S — CID 66222473

IUPAC4-[(3-ethylthiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCCc1ccsc1C(=O)NC1COCC1C(=O)O
InChIInChI=1S/C12H15NO4S/c1-2-7-3-4-18-10(7)11(14)13-9-6-17-5-8(9)12(15)16/h3-4,8-9H,2,5-6H2,1H3,(H,13,14)(H,15,16)
InChIKeyULCDIKDQXKLUIH-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.14
Rot. Bonds4

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

4-[(3-ethylthiophene-2-carbonyl)amino]oxolane-3-carboxylic acid (PubChem CID 66222473) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is 4-[(3-ethylthiophene-2-carbonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(3-ethylthiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
PubChem CID66222473
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name4-[(3-ethylthiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCCc1ccsc1C(=O)NC1COCC1C(=O)O
InChIInChI=1S/C12H15NO4S/c1-2-7-3-4-18-10(7)11(14)13-9-6-17-5-8(9)12(15)16/h3-4,8-9H,2,5-6H2,1H3,(H,13,14)(H,15,16)
InChIKeyULCDIKDQXKLUIH-UHFFFAOYSA-N
XLogP1.14
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 80644088
cis-(1R,2S)-2-[(3-ethylthiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 97031564
4-[[ethyl(phenyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66240338
N-(2-aminocyclopentyl)-3-ethylthiophene-2-carboxamide
CID 63251494
3-ethyl-N-(2-methylpiperidin-3-yl)thiophene-2-carboxamide;hydrochloride
CID 120575332
4-(pyridine-4-carbonylamino)oxolane-3-carboxylic acid
CID 66222895
4-[(2,6-dihydroxybenzoyl)amino]oxolane-3-carboxylic acid
CID 107688107
4-[(5-methylfuran-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 66223779
N-(4-chloro-1,1-dioxothiolan-3-yl)-3-ethylthiophene-2-carboxamide
CID 115338844
N-[2-(bromomethyl)cyclopentyl]-3-ethylthiophene-2-carboxamide
CID 106366310
3-ethyl-N-methylthiophene-2-carboxamide
CID 61341196
4-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]oxolane-3-carboxylic acid
CID 66221609

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethylthiophene-2-carbonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(3-ethylthiophene-2-carbonyl)amino]oxolane-3-carboxylic acid (CID 66222473) is 4-[(3-ethylthiophene-2-carbonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(3-ethylthiophene-2-carbonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(3-ethylthiophene-2-carbonyl)amino]oxolane-3-carboxylic acid is CCc1ccsc1C(=O)NC1COCC1C(=O)O.
What is the InChIKey of 4-[(3-ethylthiophene-2-carbonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is ULCDIKDQXKLUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4S/c1-2-7-3-4-18-10(7)11(14)13-9-6-17-5-8(9)12(15)16/h3-4,8-9H,2,5-6H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 4-[(3-ethylthiophene-2-carbonyl)amino]oxolane-3-carboxylic acid?
4-[(3-ethylthiophene-2-carbonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 269.32 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethylthiophene-2-carbonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66222473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).