thiophen-2-ylmethyl 3-aminocyclopentane-1-carboxylate

C11H15NO2S — CID 66031603

IUPACthiophen-2-ylmethyl 3-aminocyclopentane-1-carboxylate
SMILESNC1CCC(C(=O)OCc2cccs2)C1
InChIInChI=1S/C11H15NO2S/c12-9-4-3-8(6-9)11(13)14-7-10-2-1-5-15-10/h1-2,5,8-9H,3-4,6-7,12H2
InChIKeyIERSSFQLJPPMGR-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.92
Rot. Bonds3

About thiophen-2-ylmethyl 3-aminocyclopentane-1-carboxylate

thiophen-2-ylmethyl 3-aminocyclopentane-1-carboxylate (PubChem CID 66031603) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is thiophen-2-ylmethyl 3-aminocyclopentane-1-carboxylate.

Molecular Properties

Compound Namethiophen-2-ylmethyl 3-aminocyclopentane-1-carboxylate
PubChem CID66031603
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Namethiophen-2-ylmethyl 3-aminocyclopentane-1-carboxylate
SMILESNC1CCC(C(=O)OCc2cccs2)C1
InChIInChI=1S/C11H15NO2S/c12-9-4-3-8(6-9)11(13)14-7-10-2-1-5-15-10/h1-2,5,8-9H,3-4,6-7,12H2
InChIKeyIERSSFQLJPPMGR-UHFFFAOYSA-N
XLogP1.92
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

thiophen-2-ylmethyl 2-methylpiperidine-4-carboxylate
CID 106743801
thiophen-2-ylmethyl 2-aminocyclohexane-1-carboxylate
CID 64816874
3-amino-N-methyl-N-(2-thiophen-2-ylethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119807064
thiophen-2-ylmethyl (2R)-pyrrolidine-2-carboxylate
CID 78923175
4-amino-N-methyl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
CID 54928756
3-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119865366
dibenzyl cyclopentane-1,3-dicarboxylate
CID 90178451
thiophen-2-ylmethyl 2,3-dihydro-1H-indole-3-carboxylate
CID 80565822
thiophen-2-ylmethyl 2-[(3S)-1,1-dioxothiolan-3-yl]acetate
CID 95586548
ethyl 4-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylate
CID 54867048
3-oxo-3-(thiophen-2-ylmethoxy)-2-(thiophen-2-ylmethyl)propanoic acid
CID 175411942
3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
CID 63044895

Frequently Asked Questions

What is the IUPAC name of thiophen-2-ylmethyl 3-aminocyclopentane-1-carboxylate?
The IUPAC name of thiophen-2-ylmethyl 3-aminocyclopentane-1-carboxylate (CID 66031603) is thiophen-2-ylmethyl 3-aminocyclopentane-1-carboxylate.
What is the SMILES notation for thiophen-2-ylmethyl 3-aminocyclopentane-1-carboxylate?
The canonical SMILES for thiophen-2-ylmethyl 3-aminocyclopentane-1-carboxylate is NC1CCC(C(=O)OCc2cccs2)C1.
What is the InChIKey of thiophen-2-ylmethyl 3-aminocyclopentane-1-carboxylate?
The InChIKey is IERSSFQLJPPMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c12-9-4-3-8(6-9)11(13)14-7-10-2-1-5-15-10/h1-2,5,8-9H,3-4,6-7,12H2.
What are the key properties of thiophen-2-ylmethyl 3-aminocyclopentane-1-carboxylate?
thiophen-2-ylmethyl 3-aminocyclopentane-1-carboxylate has a molecular weight of 225.31 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-2-ylmethyl 3-aminocyclopentane-1-carboxylate is sourced from PubChem (CID 66031603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).