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

C10H10ClNO4S — CID 80644088

IUPAC4-[(3-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
SMILESO=C(NC1COCC1C(=O)O)c1sccc1Cl
InChIInChI=1S/C10H10ClNO4S/c11-6-1-2-17-8(6)9(13)12-7-4-16-3-5(7)10(14)15/h1-2,5,7H,3-4H2,(H,12,13)(H,14,15)
InChIKeyJDHPRJIRYJEKBU-UHFFFAOYSA-N
MW275.71 g/mol
LogP1.23
Rot. Bonds3

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

4-[(3-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid (PubChem CID 80644088) has the molecular formula C10H10ClNO4S and a molecular weight of 275.71 g/mol. Its IUPAC name is 4-[(3-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(3-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
PubChem CID80644088
Molecular FormulaC10H10ClNO4S
Molecular Weight275.71 g/mol
Exact Mass275.00
IUPAC Name4-[(3-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
SMILESO=C(NC1COCC1C(=O)O)c1sccc1Cl
InChIInChI=1S/C10H10ClNO4S/c11-6-1-2-17-8(6)9(13)12-7-4-16-3-5(7)10(14)15/h1-2,5,7H,3-4H2,(H,12,13)(H,14,15)
InChIKeyJDHPRJIRYJEKBU-UHFFFAOYSA-N
XLogP1.23
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(3-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3-ethylthiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 66222473
3-chloro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]thiophene-2-carboxamide
CID 122571729
4-[(2,5-dichlorobenzoyl)amino]oxolane-3-carboxylic acid
CID 66221387
(3R,4S)-4-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 69438976
4-[(4-amino-3,5-dichlorobenzoyl)amino]oxolane-3-carboxylic acid
CID 82833163
4-[(3-amino-4-chlorobenzoyl)amino]oxolane-3-carboxylic acid
CID 66239735
3-chloro-N-[2-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]thiophene-2-carboxamide
CID 80642399
N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-3-chlorothiophene-2-carboxamide
CID 122565327
4-[(2,6-dihydroxybenzoyl)amino]oxolane-3-carboxylic acid
CID 107688107
4-(pyridine-4-carbonylamino)oxolane-3-carboxylic acid
CID 66222895
3-chloro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]thiophene-2-carboxamide;hydrochloride
CID 154907992
4-[(3-chlorothiophene-2-carbonyl)amino]-3-methyloxolane-3-carboxylic acid
CID 80644457

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(3-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid (CID 80644088) is 4-[(3-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(3-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(3-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid is O=C(NC1COCC1C(=O)O)c1sccc1Cl.
What is the InChIKey of 4-[(3-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is JDHPRJIRYJEKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO4S/c11-6-1-2-17-8(6)9(13)12-7-4-16-3-5(7)10(14)15/h1-2,5,7H,3-4H2,(H,12,13)(H,14,15).
What are the key properties of 4-[(3-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid?
4-[(3-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 275.71 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 80644088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).