4-{[3-(methoxycarbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]amino}-4-oxobutanoic acid

Base Information

• Chemical Name: 4-{[3-(methoxycarbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]amino}-4-oxobutanoic acid
• CAS No.: 328025-47-4
• Molecular Formula: C13H14NO5S-
• Molecular Weight: 296.3195
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID10389419
• Wikidata: Q82185193
• Mol file: 328025-47-4.mol

Synonyms:328025-47-4;4-{[3-(methoxycarbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]amino}-4-oxobutanoic acid;2-(3-carboxypropionylamino)-5,6-dihydro-4h-cyclo-penta[b]thiophene-3-carboxylic acid methyl ester;4-((3-(methoxycarbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino)-4-oxobutanoic acid;4-[(3-methoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-4-oxobutanoic acid;2-(3-carboxy-propionylamino)-5,6-dihydro-4h-cyclopenta[b]thiophene-3-carboxylic acid methyl ester;BAS 00675463;4-([3-(methoxycarbonyl)-5,6-dihydro-4h-cyclopenta[b]thiophen-2-yl]amino)-4-oxobutanoic acid;Oprea1_455066;Oprea1_583673;DTXSID10389419;STK079251;AKOS000300917;2-(3-Carboxy-propionylamino)-5,6-dihydro-4H-cyclo-penta[b]thiophene-3-carboxylic acid methyl ester;CS-0323571;FT-0760593;SR-01000360120;SR-01000360120-1;F3146-4396;3-([3-(methoxycarbonyl)-4h,5h,6h-cyclopenta[b]thiophen-2-yl]carbamoyl)propanoic acid;4-((3-(methoxycarbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino)-4-oxobutanoicacid;4-(3-(methoxycarbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylamino)-4-oxobutanoic acid;2-(3-carboxy-propanylamino)-5,6-dihydro-4h-cyclopenta[b]thiophene-3-carboxylic acid methyl ester;2-(3-carboxy-propionylamino)-5,6-dihydro-4 h-cyclopenta[b]thiophene-3-carboxylic acid methyl ester;2-(3-CARBOXY-PROPIONYLAMINO)-5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHENE-3-CARBOXYLICACIDMETHYLESTER

Chemical Property of 4-{[3-(methoxycarbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]amino}-4-oxobutanoic acid

Chemical Property:

• Vapor Pressure: 3.15E-15mmHg at 25°C
• Boiling Point: 599.6°Cat760mmHg
• PKA: 4.67±0.10(Predicted)
• Flash Point: 316.5°C
• PSA: 120.94000
• Density: g/cm³
• LogP: 1.89970
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 297.06709375
• Heavy Atom Count: 20
• Complexity: 414

Purity/Quality:

98%min ^*data from raw suppliers

2-(3-Carboxypropionylamino)-5,6-dihydro-4H-cyclo-penta[b]thiophene-3-carboxylic acid methyl ester ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(SC2=C1CCC2)NC(=O)CCC(=O)O