ethyl 3-(2-methylpyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carboxylate

C16H30N2O2 — CID 79649919

IUPACethyl 3-(2-methylpyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carboxylate
SMILESCCCNC1(C(=O)OCC)CCC(N2CCCC2C)C1
InChIInChI=1S/C16H30N2O2/c1-4-10-17-16(15(19)20-5-2)9-8-14(12-16)18-11-6-7-13(18)3/h13-14,17H,4-12H2,1-3H3
InChIKeyAOLIPGFKPQIDPH-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.32
Rot. Bonds6

About ethyl 3-(2-methylpyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carboxylate

ethyl 3-(2-methylpyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carboxylate (PubChem CID 79649919) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is ethyl 3-(2-methylpyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-methylpyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carboxylate
PubChem CID79649919
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Nameethyl 3-(2-methylpyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carboxylate
SMILESCCCNC1(C(=O)OCC)CCC(N2CCCC2C)C1
InChIInChI=1S/C16H30N2O2/c1-4-10-17-16(15(19)20-5-2)9-8-14(12-16)18-11-6-7-13(18)3/h13-14,17H,4-12H2,1-3H3
InChIKeyAOLIPGFKPQIDPH-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
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
3-(2-methylazepan-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79633722
methyl 1-(ethylamino)-3-(2-methylpyrrolidin-1-yl)cyclohexane-1-carboxylate
CID 79636339
ethyl 4-methyl-1-(propylamino)cyclohexane-1-carboxylate
CID 60796516
methyl 3-(2-methylpyrrolidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79649532
ethyl 3-(dimethylamino)-1-(propylamino)cyclopentane-1-carboxylate
CID 79649561
ethyl 4-tert-butyl-1-(propylamino)cyclohexane-1-carboxylate
CID 60797035
ethyl 3-methoxy-1-(propylamino)cyclohexane-1-carboxylate
CID 79637630
ethyl 1-(propylamino)-3-pyrazol-1-ylcyclohexane-1-carboxylate
CID 79641998

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-methylpyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 3-(2-methylpyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carboxylate (CID 79649919) is ethyl 3-(2-methylpyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 3-(2-methylpyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 3-(2-methylpyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carboxylate is CCCNC1(C(=O)OCC)CCC(N2CCCC2C)C1.
What is the InChIKey of ethyl 3-(2-methylpyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carboxylate?
The InChIKey is AOLIPGFKPQIDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-4-10-17-16(15(19)20-5-2)9-8-14(12-16)18-11-6-7-13(18)3/h13-14,17H,4-12H2,1-3H3.
What are the key properties of ethyl 3-(2-methylpyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carboxylate?
ethyl 3-(2-methylpyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carboxylate has a molecular weight of 282.43 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-methylpyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 79649919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).