methyl 2-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(ethylamino)cyclopentane-1-carboxylate

C17H32N2O2 — CID 79573398

IUPACmethyl 2-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(ethylamino)cyclopentane-1-carboxylate
SMILESCCNC1(C(=O)OC)CCCC1CCN1CC(C)C(C)C1
InChIInChI=1S/C17H32N2O2/c1-5-18-17(16(20)21-4)9-6-7-15(17)8-10-19-11-13(2)14(3)12-19/h13-15,18H,5-12H2,1-4H3
InChIKeyUVFIVMPIFSVILT-UHFFFAOYSA-N
MW296.46 g/mol
LogP2.29
Rot. Bonds6

About methyl 2-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(ethylamino)cyclopentane-1-carboxylate

methyl 2-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(ethylamino)cyclopentane-1-carboxylate (PubChem CID 79573398) has the molecular formula C17H32N2O2 and a molecular weight of 296.46 g/mol. Its IUPAC name is methyl 2-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(ethylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(ethylamino)cyclopentane-1-carboxylate
PubChem CID79573398
Molecular FormulaC17H32N2O2
Molecular Weight296.46 g/mol
Exact Mass296.25
IUPAC Namemethyl 2-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(ethylamino)cyclopentane-1-carboxylate
SMILESCCNC1(C(=O)OC)CCCC1CCN1CC(C)C(C)C1
InChIInChI=1S/C17H32N2O2/c1-5-18-17(16(20)21-4)9-6-7-15(17)8-10-19-11-13(2)14(3)12-19/h13-15,18H,5-12H2,1-4H3
InChIKeyUVFIVMPIFSVILT-UHFFFAOYSA-N
XLogP2.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(ethylamino)-2-(2-pyrazol-1-ylethyl)cyclopentane-1-carboxylate
CID 79571908
methyl 1-(ethylamino)-2-[2-[methyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxylate
CID 79577741
2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 104960352
1-(ethylamino)-2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]cyclopentane-1-carboxylic acid
CID 79572494
ethyl 1-(ethylamino)-2-(2-morpholin-4-ylethyl)cyclopentane-1-carboxylate
CID 79576046
methyl 2-[2-[cyclopentyl(methyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carboxylate
CID 79577097
methyl 1-(ethylamino)-2-[2-(2-methoxyethylsulfanyl)ethyl]cyclopentane-1-carboxylate
CID 79586684
methyl 1-(ethylamino)-2-[2-(2-methylpentoxy)ethyl]cyclopentane-1-carboxylate
CID 103284971
methyl 1-(ethylamino)-2-[2-[methyl(pentyl)amino]ethyl]cyclopentane-1-carboxylate
CID 79565199
2-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79572884
methyl 1-(ethylamino)-2-[2-[ethyl(2-methoxyethyl)amino]ethyl]cyclopentane-1-carboxylate
CID 79564764
2-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 81464092

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(ethylamino)cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(ethylamino)cyclopentane-1-carboxylate (CID 79573398) is methyl 2-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(ethylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(ethylamino)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(ethylamino)cyclopentane-1-carboxylate is CCNC1(C(=O)OC)CCCC1CCN1CC(C)C(C)C1.
What is the InChIKey of methyl 2-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(ethylamino)cyclopentane-1-carboxylate?
The InChIKey is UVFIVMPIFSVILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-5-18-17(16(20)21-4)9-6-7-15(17)8-10-19-11-13(2)14(3)12-19/h13-15,18H,5-12H2,1-4H3.
What are the key properties of methyl 2-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(ethylamino)cyclopentane-1-carboxylate?
methyl 2-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(ethylamino)cyclopentane-1-carboxylate has a molecular weight of 296.46 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(ethylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 79573398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).