methyl 5-oxo-5-(2-thiophen-3-ylpyrrolidin-1-yl)pentanoate

C14H19NO3S — CID 86792913

IUPACmethyl 5-oxo-5-(2-thiophen-3-ylpyrrolidin-1-yl)pentanoate
SMILESCOC(=O)CCCC(=O)N1CCCC1c1ccsc1
InChIInChI=1S/C14H19NO3S/c1-18-14(17)6-2-5-13(16)15-8-3-4-12(15)11-7-9-19-10-11/h7,9-10,12H,2-6,8H2,1H3
InChIKeyUHGISAGCZRWPCM-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.75
Rot. Bonds5

About methyl 5-oxo-5-(2-thiophen-3-ylpyrrolidin-1-yl)pentanoate

methyl 5-oxo-5-(2-thiophen-3-ylpyrrolidin-1-yl)pentanoate (PubChem CID 86792913) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is methyl 5-oxo-5-(2-thiophen-3-ylpyrrolidin-1-yl)pentanoate.

Molecular Properties

Compound Namemethyl 5-oxo-5-(2-thiophen-3-ylpyrrolidin-1-yl)pentanoate
PubChem CID86792913
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Namemethyl 5-oxo-5-(2-thiophen-3-ylpyrrolidin-1-yl)pentanoate
SMILESCOC(=O)CCCC(=O)N1CCCC1c1ccsc1
InChIInChI=1S/C14H19NO3S/c1-18-14(17)6-2-5-13(16)15-8-3-4-12(15)11-7-9-19-10-11/h7,9-10,12H,2-6,8H2,1H3
InChIKeyUHGISAGCZRWPCM-UHFFFAOYSA-N
XLogP2.75
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 5-oxo-5-(2-thiophen-3-ylpyrrolidin-1-yl)pentanoate 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

7-amino-1-(2-thiophen-3-ylpyrrolidin-1-yl)heptan-1-one
CID 54871536
4-methyl-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]pentan-1-one
CID 51948019
N-[3-oxo-3-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propyl]methanesulfonamide
CID 94117741
5,5-dimethyl-3-[4-oxo-4-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]butyl]imidazolidine-2,4-dione
CID 94117692
N-[3-oxo-3-(2-thiophen-3-ylpyrrolidin-1-yl)propyl]cyclopentanecarboxamide
CID 47036904
1-morpholin-4-yl-4-(2-thiophen-3-ylpyrrolidin-1-yl)butane-1,4-dione
CID 47036037
2-(butan-2-ylamino)-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone
CID 54871562
1-cyclohexyl-3-[3-oxo-3-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propyl]urea
CID 94114826
cyclopropyl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 94117667
(2R)-N-[(2S)-1-methoxypropan-2-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 97311685
2-(2,4-dimethoxyphenyl)-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]ethanone
CID 95596058
2,2-dimethyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)propan-1-one
CID 64591656

Frequently Asked Questions

What is the IUPAC name of methyl 5-oxo-5-(2-thiophen-3-ylpyrrolidin-1-yl)pentanoate?
The IUPAC name of methyl 5-oxo-5-(2-thiophen-3-ylpyrrolidin-1-yl)pentanoate (CID 86792913) is methyl 5-oxo-5-(2-thiophen-3-ylpyrrolidin-1-yl)pentanoate.
What is the SMILES notation for methyl 5-oxo-5-(2-thiophen-3-ylpyrrolidin-1-yl)pentanoate?
The canonical SMILES for methyl 5-oxo-5-(2-thiophen-3-ylpyrrolidin-1-yl)pentanoate is COC(=O)CCCC(=O)N1CCCC1c1ccsc1.
What is the InChIKey of methyl 5-oxo-5-(2-thiophen-3-ylpyrrolidin-1-yl)pentanoate?
The InChIKey is UHGISAGCZRWPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-18-14(17)6-2-5-13(16)15-8-3-4-12(15)11-7-9-19-10-11/h7,9-10,12H,2-6,8H2,1H3.
What are the key properties of methyl 5-oxo-5-(2-thiophen-3-ylpyrrolidin-1-yl)pentanoate?
methyl 5-oxo-5-(2-thiophen-3-ylpyrrolidin-1-yl)pentanoate has a molecular weight of 281.38 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-oxo-5-(2-thiophen-3-ylpyrrolidin-1-yl)pentanoate is sourced from PubChem (CID 86792913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).