5-amino-4-(3-cyclopentyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)-5-oxopentanoic acid

C16H20N2O4S — CID 134608521

IUPAC5-amino-4-(3-cyclopentyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)-5-oxopentanoic acid
SMILESNC(=O)C(CCC(=O)O)N1Cc2c(C3CCCC3)csc2C1=O
InChIInChI=1S/C16H20N2O4S/c17-15(21)12(5-6-13(19)20)18-7-10-11(9-3-1-2-4-9)8-23-14(10)16(18)22/h8-9,12H,1-7H2,(H2,17,21)(H,19,20)
InChIKeyKQBXQSSGYOEJDQ-UHFFFAOYSA-N
MW336.41 g/mol
LogP2.08
Rot. Bonds6

About 5-amino-4-(3-cyclopentyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)-5-oxopentanoic acid

5-amino-4-(3-cyclopentyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)-5-oxopentanoic acid (PubChem CID 134608521) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is 5-amino-4-(3-cyclopentyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-4-(3-cyclopentyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)-5-oxopentanoic acid
PubChem CID134608521
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name5-amino-4-(3-cyclopentyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)-5-oxopentanoic acid
SMILESNC(=O)C(CCC(=O)O)N1Cc2c(C3CCCC3)csc2C1=O
InChIInChI=1S/C16H20N2O4S/c17-15(21)12(5-6-13(19)20)18-7-10-11(9-3-1-2-4-9)8-23-14(10)16(18)22/h8-9,12H,1-7H2,(H2,17,21)(H,19,20)
InChIKeyKQBXQSSGYOEJDQ-UHFFFAOYSA-N
XLogP2.08
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3-cyclopentyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)-5-oxopentanoic acid?
The IUPAC name of 5-amino-4-(3-cyclopentyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)-5-oxopentanoic acid (CID 134608521) is 5-amino-4-(3-cyclopentyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-4-(3-cyclopentyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)-5-oxopentanoic acid?
The canonical SMILES for 5-amino-4-(3-cyclopentyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)-5-oxopentanoic acid is NC(=O)C(CCC(=O)O)N1Cc2c(C3CCCC3)csc2C1=O.
What is the InChIKey of 5-amino-4-(3-cyclopentyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)-5-oxopentanoic acid?
The InChIKey is KQBXQSSGYOEJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c17-15(21)12(5-6-13(19)20)18-7-10-11(9-3-1-2-4-9)8-23-14(10)16(18)22/h8-9,12H,1-7H2,(H2,17,21)(H,19,20).
What are the key properties of 5-amino-4-(3-cyclopentyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)-5-oxopentanoic acid?
5-amino-4-(3-cyclopentyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)-5-oxopentanoic acid has a molecular weight of 336.41 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3-cyclopentyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)-5-oxopentanoic acid is sourced from PubChem (CID 134608521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).