5-[(2-methoxycarbonyl-4-methylthiophen-3-yl)amino]-5-oxopentanoic acid

C12H15NO5S — CID 114915310

IUPAC5-[(2-methoxycarbonyl-4-methylthiophen-3-yl)amino]-5-oxopentanoic acid
SMILESCOC(=O)c1scc(C)c1NC(=O)CCCC(=O)O
InChIInChI=1S/C12H15NO5S/c1-7-6-19-11(12(17)18-2)10(7)13-8(14)4-3-5-9(15)16/h6H,3-5H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyWPAQWKFEWSLUDP-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.04
Rot. Bonds6

About 5-[(2-methoxycarbonyl-4-methylthiophen-3-yl)amino]-5-oxopentanoic acid

5-[(2-methoxycarbonyl-4-methylthiophen-3-yl)amino]-5-oxopentanoic acid (PubChem CID 114915310) has the molecular formula C12H15NO5S and a molecular weight of 285.32 g/mol. Its IUPAC name is 5-[(2-methoxycarbonyl-4-methylthiophen-3-yl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(2-methoxycarbonyl-4-methylthiophen-3-yl)amino]-5-oxopentanoic acid
PubChem CID114915310
Molecular FormulaC12H15NO5S
Molecular Weight285.32 g/mol
Exact Mass285.07
IUPAC Name5-[(2-methoxycarbonyl-4-methylthiophen-3-yl)amino]-5-oxopentanoic acid
SMILESCOC(=O)c1scc(C)c1NC(=O)CCCC(=O)O
InChIInChI=1S/C12H15NO5S/c1-7-6-19-11(12(17)18-2)10(7)13-8(14)4-3-5-9(15)16/h6H,3-5H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyWPAQWKFEWSLUDP-UHFFFAOYSA-N
XLogP2.04
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(6-amino-4,4-dimethylhexanoyl)amino]-4-methylthiophene-2-carboxylate
CID 114915667
methyl 3-[[2-(4-aminophenyl)acetyl]amino]-4-methylthiophene-2-carboxylate
CID 114914504
methyl 4-methyl-3-[(2,2,2-trichloroacetyl)amino]thiophene-2-carboxylate
CID 2807911
methyl 3-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methylthiophene-2-carboxylate
CID 114916266
methyl 4-methyl-3-[[2-[1-(2-oxopropyl)piperidin-1-ium-1-yl]acetyl]amino]thiophene-2-carboxylate
CID 177002256
methyl 3-(butanoylamino)-4-nitrothiophene-2-carboxylate
CID 139628405
methyl 3-[2-(butylamino)propanoylamino]-4-methylthiophene-2-carboxylate
CID 71587156
methyl 3-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-methylthiophene-2-carboxylate
CID 104983078
methyl 3-[(2-fluoro-3-methylbenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 114915416
methyl 4-methyl-3-(2H-triazole-4-carbonylamino)thiophene-2-carboxylate
CID 114916114
methyl 3-[(2,5-dimethylpyrazole-3-carbonyl)amino]-4-methylthiophene-2-carboxylate
CID 99623538
methyl 3-[(4-bromobenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 114915742

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxycarbonyl-4-methylthiophen-3-yl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-[(2-methoxycarbonyl-4-methylthiophen-3-yl)amino]-5-oxopentanoic acid (CID 114915310) is 5-[(2-methoxycarbonyl-4-methylthiophen-3-yl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(2-methoxycarbonyl-4-methylthiophen-3-yl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(2-methoxycarbonyl-4-methylthiophen-3-yl)amino]-5-oxopentanoic acid is COC(=O)c1scc(C)c1NC(=O)CCCC(=O)O.
What is the InChIKey of 5-[(2-methoxycarbonyl-4-methylthiophen-3-yl)amino]-5-oxopentanoic acid?
The InChIKey is WPAQWKFEWSLUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5S/c1-7-6-19-11(12(17)18-2)10(7)13-8(14)4-3-5-9(15)16/h6H,3-5H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 5-[(2-methoxycarbonyl-4-methylthiophen-3-yl)amino]-5-oxopentanoic acid?
5-[(2-methoxycarbonyl-4-methylthiophen-3-yl)amino]-5-oxopentanoic acid has a molecular weight of 285.32 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxycarbonyl-4-methylthiophen-3-yl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 114915310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).