methyl 2-[2-(2,5-dimethylmorpholin-4-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylate

C16H30N2O3 — CID 79565986

IUPACmethyl 2-[2-(2,5-dimethylmorpholin-4-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylate
SMILESCNC1(C(=O)OC)CCCC1CCN1CC(C)OCC1C
InChIInChI=1S/C16H30N2O3/c1-12-11-21-13(2)10-18(12)9-7-14-6-5-8-16(14,17-3)15(19)20-4/h12-14,17H,5-11H2,1-4H3
InChIKeyFISNRUREQJEVOP-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.42
Rot. Bonds5

About methyl 2-[2-(2,5-dimethylmorpholin-4-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylate

methyl 2-[2-(2,5-dimethylmorpholin-4-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylate (PubChem CID 79565986) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is methyl 2-[2-(2,5-dimethylmorpholin-4-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(2,5-dimethylmorpholin-4-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylate
PubChem CID79565986
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Namemethyl 2-[2-(2,5-dimethylmorpholin-4-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylate
SMILESCNC1(C(=O)OC)CCCC1CCN1CC(C)OCC1C
InChIInChI=1S/C16H30N2O3/c1-12-11-21-13(2)10-18(12)9-7-14-6-5-8-16(14,17-3)15(19)20-4/h12-14,17H,5-11H2,1-4H3
InChIKeyFISNRUREQJEVOP-UHFFFAOYSA-N
XLogP1.42
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(5-ethyl-2-methylmorpholin-4-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79564865
methyl 2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylate
CID 79578047
[1-amino-2-[2-(2,5-dimethylmorpholin-4-yl)ethyl]cyclopentyl]methanol
CID 79571094
1-(aminomethyl)-2-[2-(2,5-dimethylmorpholin-4-yl)ethyl]cyclopentan-1-ol
CID 79587757
2-[2-(2,5-dimethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79564394
[2-[2-(2,5-dimethylmorpholin-4-yl)ethyl]-1-(ethylamino)cyclopentyl]methanol
CID 79570956
ethyl 1-(methylamino)-2-[2-(2-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carboxylate
CID 79577573
methyl 2-(2-cyclohexyloxyethyl)-1-(methylamino)cyclopentane-1-carboxylate
CID 79581318
methyl 1-(methylamino)-2-(2-pentoxyethyl)cyclopentane-1-carboxylate
CID 79587746
methyl 1-(methylamino)-2-[2-(oxolan-3-ylmethoxy)ethyl]cyclopentane-1-carboxylate
CID 79571672
methyl 1-(methylamino)-2-[2-(oxan-4-ylmethoxy)ethyl]cyclopentane-1-carboxylate
CID 79587507
methyl 1-(methylamino)-2-(2-pentan-2-yloxyethyl)cyclopentane-1-carboxylate
CID 102984407

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2,5-dimethylmorpholin-4-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-[2-(2,5-dimethylmorpholin-4-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylate (CID 79565986) is methyl 2-[2-(2,5-dimethylmorpholin-4-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-[2-(2,5-dimethylmorpholin-4-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-[2-(2,5-dimethylmorpholin-4-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylate is CNC1(C(=O)OC)CCCC1CCN1CC(C)OCC1C.
What is the InChIKey of methyl 2-[2-(2,5-dimethylmorpholin-4-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylate?
The InChIKey is FISNRUREQJEVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-12-11-21-13(2)10-18(12)9-7-14-6-5-8-16(14,17-3)15(19)20-4/h12-14,17H,5-11H2,1-4H3.
What are the key properties of methyl 2-[2-(2,5-dimethylmorpholin-4-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylate?
methyl 2-[2-(2,5-dimethylmorpholin-4-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylate has a molecular weight of 298.43 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2,5-dimethylmorpholin-4-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 79565986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).