ethyl 1-(methylamino)-3-pyrrolidin-1-ylcyclopentane-1-carboxylate

C13H24N2O2 — CID 79649541

IUPACethyl 1-(methylamino)-3-pyrrolidin-1-ylcyclopentane-1-carboxylate
SMILESCCOC(=O)C1(NC)CCC(N2CCCC2)C1
InChIInChI=1S/C13H24N2O2/c1-3-17-12(16)13(14-2)7-6-11(10-13)15-8-4-5-9-15/h11,14H,3-10H2,1-2H3
InChIKeyHLYGDDWBKPYOAX-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.16
Rot. Bonds4

About ethyl 1-(methylamino)-3-pyrrolidin-1-ylcyclopentane-1-carboxylate

ethyl 1-(methylamino)-3-pyrrolidin-1-ylcyclopentane-1-carboxylate (PubChem CID 79649541) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is ethyl 1-(methylamino)-3-pyrrolidin-1-ylcyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(methylamino)-3-pyrrolidin-1-ylcyclopentane-1-carboxylate
PubChem CID79649541
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Nameethyl 1-(methylamino)-3-pyrrolidin-1-ylcyclopentane-1-carboxylate
SMILESCCOC(=O)C1(NC)CCC(N2CCCC2)C1
InChIInChI=1S/C13H24N2O2/c1-3-17-12(16)13(14-2)7-6-11(10-13)15-8-4-5-9-15/h11,14H,3-10H2,1-2H3
InChIKeyHLYGDDWBKPYOAX-UHFFFAOYSA-N
XLogP1.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(methylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylate
CID 79645136
ethyl 1-(methylamino)-3-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylate
CID 79636962
ethyl 3-(3-methoxypiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxylate
CID 102966602
ethyl 1-(methylamino)-3-(2-methylpiperidin-1-yl)cyclohexane-1-carboxylate
CID 79637035
ethyl 3-piperidin-1-yl-1-(propylamino)cyclohexane-1-carboxylate
CID 79628675
ethyl 1-(methylamino)-3-(2-methylpyrrolidin-1-yl)cyclohexane-1-carboxylate
CID 79636107
ethyl 3-(2,6-dimethylmorpholin-4-yl)-1-(methylamino)cyclohexane-1-carboxylate
CID 79626926
ethyl 1-(cyclopropylamino)-3-(4-methylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 79645147
ethyl 3-(2-ethylpyrrolidin-1-yl)-1-(methylamino)cyclohexane-1-carboxylate
CID 79636182
ethyl 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(methylamino)cyclopentane-1-carboxylate
CID 79651185
ethyl 1-(cyclopropylamino)-3-morpholin-4-ylcyclopentane-1-carboxylate
CID 79650253
methyl 3-(8-azaspiro[4.5]decan-8-yl)-1-(methylamino)cyclopentane-1-carboxylate
CID 79644417

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(methylamino)-3-pyrrolidin-1-ylcyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-(methylamino)-3-pyrrolidin-1-ylcyclopentane-1-carboxylate (CID 79649541) is ethyl 1-(methylamino)-3-pyrrolidin-1-ylcyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-(methylamino)-3-pyrrolidin-1-ylcyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-(methylamino)-3-pyrrolidin-1-ylcyclopentane-1-carboxylate is CCOC(=O)C1(NC)CCC(N2CCCC2)C1.
What is the InChIKey of ethyl 1-(methylamino)-3-pyrrolidin-1-ylcyclopentane-1-carboxylate?
The InChIKey is HLYGDDWBKPYOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-17-12(16)13(14-2)7-6-11(10-13)15-8-4-5-9-15/h11,14H,3-10H2,1-2H3.
What are the key properties of ethyl 1-(methylamino)-3-pyrrolidin-1-ylcyclopentane-1-carboxylate?
ethyl 1-(methylamino)-3-pyrrolidin-1-ylcyclopentane-1-carboxylate has a molecular weight of 240.35 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(methylamino)-3-pyrrolidin-1-ylcyclopentane-1-carboxylate is sourced from PubChem (CID 79649541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).