5-[(5-ethyl-3-methoxycarbonylthiophen-2-yl)amino]-5-oxopentanoic acid

C13H17NO5S — CID 757007

IUPAC5-[(5-ethyl-3-methoxycarbonylthiophen-2-yl)amino]-5-oxopentanoic acid
SMILESCCc1cc(C(=O)OC)c(NC(=O)CCCC(=O)O)s1
InChIInChI=1S/C13H17NO5S/c1-3-8-7-9(13(18)19-2)12(20-8)14-10(15)5-4-6-11(16)17/h7H,3-6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyHFDVBDIXQGLUDM-UHFFFAOYSA-N
MW299.35 g/mol
LogP2.29
Rot. Bonds7

About 5-[(5-ethyl-3-methoxycarbonylthiophen-2-yl)amino]-5-oxopentanoic acid

5-[(5-ethyl-3-methoxycarbonylthiophen-2-yl)amino]-5-oxopentanoic acid (PubChem CID 757007) has the molecular formula C13H17NO5S and a molecular weight of 299.35 g/mol. Its IUPAC name is 5-[(5-ethyl-3-methoxycarbonylthiophen-2-yl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(5-ethyl-3-methoxycarbonylthiophen-2-yl)amino]-5-oxopentanoic acid
PubChem CID757007
Molecular FormulaC13H17NO5S
Molecular Weight299.35 g/mol
Exact Mass299.08
IUPAC Name5-[(5-ethyl-3-methoxycarbonylthiophen-2-yl)amino]-5-oxopentanoic acid
SMILESCCc1cc(C(=O)OC)c(NC(=O)CCCC(=O)O)s1
InChIInChI=1S/C13H17NO5S/c1-3-8-7-9(13(18)19-2)12(20-8)14-10(15)5-4-6-11(16)17/h7H,3-6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyHFDVBDIXQGLUDM-UHFFFAOYSA-N
XLogP2.29
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-ethyl-3-methoxycarbonylthiophen-2-yl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-[(5-ethyl-3-methoxycarbonylthiophen-2-yl)amino]-5-oxopentanoic acid (CID 757007) is 5-[(5-ethyl-3-methoxycarbonylthiophen-2-yl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(5-ethyl-3-methoxycarbonylthiophen-2-yl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(5-ethyl-3-methoxycarbonylthiophen-2-yl)amino]-5-oxopentanoic acid is CCc1cc(C(=O)OC)c(NC(=O)CCCC(=O)O)s1.
What is the InChIKey of 5-[(5-ethyl-3-methoxycarbonylthiophen-2-yl)amino]-5-oxopentanoic acid?
The InChIKey is HFDVBDIXQGLUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5S/c1-3-8-7-9(13(18)19-2)12(20-8)14-10(15)5-4-6-11(16)17/h7H,3-6H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 5-[(5-ethyl-3-methoxycarbonylthiophen-2-yl)amino]-5-oxopentanoic acid?
5-[(5-ethyl-3-methoxycarbonylthiophen-2-yl)amino]-5-oxopentanoic acid has a molecular weight of 299.35 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-ethyl-3-methoxycarbonylthiophen-2-yl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 757007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).