2-[2-[3-(carboxymethoxy)thiophene-2-carbonyl]oxycarbonylthiophen-3-yl]oxyacetic acid

C14H10O9S2 — CID 87966564

IUPAC2-[2-[3-(carboxymethoxy)thiophene-2-carbonyl]oxycarbonylthiophen-3-yl]oxyacetic acid
SMILESO=C(O)COc1ccsc1C(=O)OC(=O)c1sccc1OCC(=O)O
InChIInChI=1S/C14H10O9S2/c15-9(16)5-21-7-1-3-24-11(7)13(19)23-14(20)12-8(2-4-25-12)22-6-10(17)18/h1-4H,5-6H2,(H,15,16)(H,17,18)
InChIKeyLVRWISIQXHBMBZ-UHFFFAOYSA-N
MW386.36 g/mol
LogP1.73
Rot. Bonds8

About 2-[2-[3-(carboxymethoxy)thiophene-2-carbonyl]oxycarbonylthiophen-3-yl]oxyacetic acid

2-[2-[3-(carboxymethoxy)thiophene-2-carbonyl]oxycarbonylthiophen-3-yl]oxyacetic acid (PubChem CID 87966564) has the molecular formula C14H10O9S2 and a molecular weight of 386.36 g/mol. Its IUPAC name is 2-[2-[3-(carboxymethoxy)thiophene-2-carbonyl]oxycarbonylthiophen-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[2-[3-(carboxymethoxy)thiophene-2-carbonyl]oxycarbonylthiophen-3-yl]oxyacetic acid
PubChem CID87966564
Molecular FormulaC14H10O9S2
Molecular Weight386.36 g/mol
Exact Mass385.98
IUPAC Name2-[2-[3-(carboxymethoxy)thiophene-2-carbonyl]oxycarbonylthiophen-3-yl]oxyacetic acid
SMILESO=C(O)COc1ccsc1C(=O)OC(=O)c1sccc1OCC(=O)O
InChIInChI=1S/C14H10O9S2/c15-9(16)5-21-7-1-3-24-11(7)13(19)23-14(20)12-8(2-4-25-12)22-6-10(17)18/h1-4H,5-6H2,(H,15,16)(H,17,18)
InChIKeyLVRWISIQXHBMBZ-UHFFFAOYSA-N
XLogP1.73
TPSA136.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.36
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-[2-[3-(carboxymethoxy)thiophene-2-carbonyl]oxycarbonylthiophen-3-yl]oxyacetic 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

methyl 3-[8-(2-methoxycarbonylthiophen-3-yl)oxyoctoxy]thiophene-2-carboxylate
CID 11015443
3-[2-[2-[2-[2-[2-(2-carboxythiophen-3-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]thiophene-2-carboxylic acid
CID 132917329
3-(3-methylbut-2-enoxy)thiophene-2-carboxylic acid
CID 63338354
2-[2-(carboxymethoxy)phenoxy]acetic acid;hydrate
CID 121199307
3-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]thiophene-2-carboxylic acid
CID 63336043
3-[2-(4-bromoanilino)-2-oxoethoxy]thiophene-2-carboxylic acid
CID 63338003
3-[2-(cycloheptylamino)-2-oxoethoxy]thiophene-2-carboxylic acid
CID 63336579
3-[2-(4-methylanilino)-2-oxoethoxy]thiophene-2-carboxylic acid
CID 63338047
3-[2-(2,6-dichloroanilino)-2-oxoethoxy]thiophene-2-carboxylic acid
CID 63336577
2-thieno[2,3-d]pyrimidin-4-yloxyacetic acid
CID 115596203
3-but-3-ynoxythiophene-2-carboxylic acid
CID 63338399
3-[(2,3,4,5,6-pentafluorophenyl)methoxy]thiophene-2-carboxylic acid
CID 63335962

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(carboxymethoxy)thiophene-2-carbonyl]oxycarbonylthiophen-3-yl]oxyacetic acid?
The IUPAC name of 2-[2-[3-(carboxymethoxy)thiophene-2-carbonyl]oxycarbonylthiophen-3-yl]oxyacetic acid (CID 87966564) is 2-[2-[3-(carboxymethoxy)thiophene-2-carbonyl]oxycarbonylthiophen-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[2-[3-(carboxymethoxy)thiophene-2-carbonyl]oxycarbonylthiophen-3-yl]oxyacetic acid?
The canonical SMILES for 2-[2-[3-(carboxymethoxy)thiophene-2-carbonyl]oxycarbonylthiophen-3-yl]oxyacetic acid is O=C(O)COc1ccsc1C(=O)OC(=O)c1sccc1OCC(=O)O.
What is the InChIKey of 2-[2-[3-(carboxymethoxy)thiophene-2-carbonyl]oxycarbonylthiophen-3-yl]oxyacetic acid?
The InChIKey is LVRWISIQXHBMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O9S2/c15-9(16)5-21-7-1-3-24-11(7)13(19)23-14(20)12-8(2-4-25-12)22-6-10(17)18/h1-4H,5-6H2,(H,15,16)(H,17,18).
What are the key properties of 2-[2-[3-(carboxymethoxy)thiophene-2-carbonyl]oxycarbonylthiophen-3-yl]oxyacetic acid?
2-[2-[3-(carboxymethoxy)thiophene-2-carbonyl]oxycarbonylthiophen-3-yl]oxyacetic acid has a molecular weight of 386.36 g/mol, XLogP of 1.73, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(carboxymethoxy)thiophene-2-carbonyl]oxycarbonylthiophen-3-yl]oxyacetic acid is sourced from PubChem (CID 87966564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).