ethyl 1-(methylamino)-2-[2-(2-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carboxylate

C16H30N2O2 — CID 79577573

IUPACethyl 1-(methylamino)-2-[2-(2-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(NC)CCCC1CCN1CCCC1C
InChIInChI=1S/C16H30N2O2/c1-4-20-15(19)16(17-3)10-5-8-14(16)9-12-18-11-6-7-13(18)2/h13-14,17H,4-12H2,1-3H3
InChIKeyONTPKDRZVVBUPZ-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.18
Rot. Bonds6

About ethyl 1-(methylamino)-2-[2-(2-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carboxylate

ethyl 1-(methylamino)-2-[2-(2-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carboxylate (PubChem CID 79577573) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is ethyl 1-(methylamino)-2-[2-(2-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(methylamino)-2-[2-(2-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carboxylate
PubChem CID79577573
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Nameethyl 1-(methylamino)-2-[2-(2-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(NC)CCCC1CCN1CCCC1C
InChIInChI=1S/C16H30N2O2/c1-4-20-15(19)16(17-3)10-5-8-14(16)9-12-18-11-6-7-13(18)2/h13-14,17H,4-12H2,1-3H3
InChIKeyONTPKDRZVVBUPZ-UHFFFAOYSA-N
XLogP2.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(ethylamino)-2-[2-(2-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carboxamide
CID 79576861
ethyl 1-(methylamino)-2-(2-propoxyethyl)cyclopentane-1-carboxylate
CID 79588199
methyl 2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylate
CID 79578047
ethyl 1-(methylamino)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane-1-carboxylate
CID 79571539
ethyl 2-methyl-1-(methylamino)cyclopentane-1-carboxylate
CID 65045182
ethyl 2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylate
CID 79568445
ethyl 2-[2-(3,3-dimethylbutoxy)ethyl]-1-(methylamino)cyclopentane-1-carboxylate
CID 79587367
methyl 2-[2-(2,5-dimethylmorpholin-4-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylate
CID 79565986
2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 79563801
2-[2-(2,5-dimethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79564394
ethyl 1-(methylamino)-2-[2-(oxan-4-yloxy)ethyl]cyclopentane-1-carboxylate
CID 79567356
2-[2-(2-ethylazepan-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid
CID 104691569

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(methylamino)-2-[2-(2-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-(methylamino)-2-[2-(2-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carboxylate (CID 79577573) is ethyl 1-(methylamino)-2-[2-(2-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-(methylamino)-2-[2-(2-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-(methylamino)-2-[2-(2-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carboxylate is CCOC(=O)C1(NC)CCCC1CCN1CCCC1C.
What is the InChIKey of ethyl 1-(methylamino)-2-[2-(2-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carboxylate?
The InChIKey is ONTPKDRZVVBUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-4-20-15(19)16(17-3)10-5-8-14(16)9-12-18-11-6-7-13(18)2/h13-14,17H,4-12H2,1-3H3.
What are the key properties of ethyl 1-(methylamino)-2-[2-(2-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carboxylate?
ethyl 1-(methylamino)-2-[2-(2-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carboxylate has a molecular weight of 282.43 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(methylamino)-2-[2-(2-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 79577573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).