methyl 3-(2-methylpyrrolidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylate

C15H28N2O2 — CID 79649532

IUPACmethyl 3-(2-methylpyrrolidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC(C)C)CCC(N2CCCC2C)C1
InChIInChI=1S/C15H28N2O2/c1-11(2)16-15(14(18)19-4)8-7-13(10-15)17-9-5-6-12(17)3/h11-13,16H,5-10H2,1-4H3
InChIKeyRNCGCFNBYDHBFB-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.93
Rot. Bonds4

About methyl 3-(2-methylpyrrolidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylate

methyl 3-(2-methylpyrrolidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylate (PubChem CID 79649532) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is methyl 3-(2-methylpyrrolidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-methylpyrrolidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylate
PubChem CID79649532
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Namemethyl 3-(2-methylpyrrolidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC(C)C)CCC(N2CCCC2C)C1
InChIInChI=1S/C15H28N2O2/c1-11(2)16-15(14(18)19-4)8-7-13(10-15)17-9-5-6-12(17)3/h11-13,16H,5-10H2,1-4H3
InChIKeyRNCGCFNBYDHBFB-UHFFFAOYSA-N
XLogP1.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methylpyrrolidin-1-yl)-1-(propan-2-ylamino)cyclohexane-1-carboxamide
CID 79637102
methyl 1-(ethylamino)-3-(2-methylpyrrolidin-1-yl)cyclohexane-1-carboxylate
CID 79636339
methyl 3-(3-ethylmorpholin-4-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79645895
methyl 1-(ethylamino)-3-(2-propan-2-ylpyrrolidin-1-yl)cyclopentane-1-carboxylate
CID 79651308
3-(2,4-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79651689
ethyl 3-(2-methylpyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carboxylate
CID 79649919
3-(2-methylpyrrolidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79639998
methyl 1-(cyclopropylamino)-3-(2,4-dimethylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 79647908
methyl 1-(ethylamino)-3-(2-ethylpyrrolidin-1-yl)cyclopentane-1-carboxylate
CID 79649918
methyl 3-(2-methylmorpholin-4-yl)-1-(propan-2-ylamino)cyclohexane-1-carboxylate
CID 79627803
ethyl 1-(cyclopropylamino)-3-(2-methylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 79645150
ethyl 1-(methylamino)-3-(2-methylpyrrolidin-1-yl)cyclohexane-1-carboxylate
CID 79636107

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-methylpyrrolidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylate?
The IUPAC name of methyl 3-(2-methylpyrrolidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylate (CID 79649532) is methyl 3-(2-methylpyrrolidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 3-(2-methylpyrrolidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 3-(2-methylpyrrolidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylate is COC(=O)C1(NC(C)C)CCC(N2CCCC2C)C1.
What is the InChIKey of methyl 3-(2-methylpyrrolidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylate?
The InChIKey is RNCGCFNBYDHBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-11(2)16-15(14(18)19-4)8-7-13(10-15)17-9-5-6-12(17)3/h11-13,16H,5-10H2,1-4H3.
What are the key properties of methyl 3-(2-methylpyrrolidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylate?
methyl 3-(2-methylpyrrolidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylate has a molecular weight of 268.40 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-methylpyrrolidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 79649532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).