methyl 3-[cyclopropyl(2-methoxyethyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate

C15H28N2O3 — CID 79655587

IUPACmethyl 3-[cyclopropyl(2-methoxyethyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate
SMILESCCNC1(C(=O)OC)CCC(N(CCOC)C2CC2)C1
InChIInChI=1S/C15H28N2O3/c1-4-16-15(14(18)20-3)8-7-13(11-15)17(9-10-19-2)12-5-6-12/h12-13,16H,4-11H2,1-3H3
InChIKeyXOYDSZMUEFMUSP-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.17
Rot. Bonds8

About methyl 3-[cyclopropyl(2-methoxyethyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate

methyl 3-[cyclopropyl(2-methoxyethyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate (PubChem CID 79655587) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is methyl 3-[cyclopropyl(2-methoxyethyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[cyclopropyl(2-methoxyethyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate
PubChem CID79655587
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Namemethyl 3-[cyclopropyl(2-methoxyethyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate
SMILESCCNC1(C(=O)OC)CCC(N(CCOC)C2CC2)C1
InChIInChI=1S/C15H28N2O3/c1-4-16-15(14(18)20-3)8-7-13(11-15)17(9-10-19-2)12-5-6-12/h12-13,16H,4-11H2,1-3H3
InChIKeyXOYDSZMUEFMUSP-UHFFFAOYSA-N
XLogP1.17
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[cyclopropyl(2-methoxyethyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79655734
methyl 3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate
CID 79626185
ethyl 3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate
CID 79646666
methyl 1-(ethylamino)-3-(2-methoxyethylsulfanyl)cyclopentane-1-carboxylate
CID 79653590
methyl 3-[cyclobutylmethyl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate
CID 79651691
methyl 3-(dimethylamino)-1-(ethylamino)cyclohexane-1-carboxylate
CID 79636589
3-[bis(2-methoxyethyl)amino]-1-(ethylamino)cyclohexane-1-carboxamide
CID 79627693
methyl 1-(ethylamino)-3-[methyl(oxolan-3-yl)amino]cyclopentane-1-carboxylate
CID 82743319
1-(ethylamino)-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]cyclopentane-1-carboxamide
CID 79647416
methyl 1-(ethylamino)-3-[3-(2-methoxyethoxy)propoxy]cyclopentane-1-carboxylate
CID 103404908
3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79655731
methyl 3-[2-methoxyethyl(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carboxylate
CID 79655499

Frequently Asked Questions

What is the IUPAC name of methyl 3-[cyclopropyl(2-methoxyethyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate?
The IUPAC name of methyl 3-[cyclopropyl(2-methoxyethyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate (CID 79655587) is methyl 3-[cyclopropyl(2-methoxyethyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 3-[cyclopropyl(2-methoxyethyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 3-[cyclopropyl(2-methoxyethyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate is CCNC1(C(=O)OC)CCC(N(CCOC)C2CC2)C1.
What is the InChIKey of methyl 3-[cyclopropyl(2-methoxyethyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate?
The InChIKey is XOYDSZMUEFMUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-16-15(14(18)20-3)8-7-13(11-15)17(9-10-19-2)12-5-6-12/h12-13,16H,4-11H2,1-3H3.
What are the key properties of methyl 3-[cyclopropyl(2-methoxyethyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate?
methyl 3-[cyclopropyl(2-methoxyethyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate has a molecular weight of 284.40 g/mol, XLogP of 1.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[cyclopropyl(2-methoxyethyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 79655587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).