ethyl 1-(methylamino)-2-[2-(oxan-4-yloxy)ethyl]cyclopentane-1-carboxylate

C16H29NO4 — CID 79567356

IUPACethyl 1-(methylamino)-2-[2-(oxan-4-yloxy)ethyl]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(NC)CCCC1CCOC1CCOCC1
InChIInChI=1S/C16H29NO4/c1-3-20-15(18)16(17-2)9-4-5-13(16)6-12-21-14-7-10-19-11-8-14/h13-14,17H,3-12H2,1-2H3
InChIKeyLLNHKKZBRRMRCS-UHFFFAOYSA-N
MW299.41 g/mol
LogP1.89
Rot. Bonds7

About ethyl 1-(methylamino)-2-[2-(oxan-4-yloxy)ethyl]cyclopentane-1-carboxylate

ethyl 1-(methylamino)-2-[2-(oxan-4-yloxy)ethyl]cyclopentane-1-carboxylate (PubChem CID 79567356) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is ethyl 1-(methylamino)-2-[2-(oxan-4-yloxy)ethyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(methylamino)-2-[2-(oxan-4-yloxy)ethyl]cyclopentane-1-carboxylate
PubChem CID79567356
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Nameethyl 1-(methylamino)-2-[2-(oxan-4-yloxy)ethyl]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(NC)CCCC1CCOC1CCOCC1
InChIInChI=1S/C16H29NO4/c1-3-20-15(18)16(17-2)9-4-5-13(16)6-12-21-14-7-10-19-11-8-14/h13-14,17H,3-12H2,1-2H3
InChIKeyLLNHKKZBRRMRCS-UHFFFAOYSA-N
XLogP1.89
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(methylamino)-2-(2-propoxyethyl)cyclopentane-1-carboxylate
CID 79588199
ethyl 1-(methylamino)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane-1-carboxylate
CID 79571539
methyl 2-(2-cyclohexyloxyethyl)-1-(methylamino)cyclopentane-1-carboxylate
CID 79581318
methyl 1-amino-2-[2-(oxan-4-yloxy)ethyl]cyclopentane-1-carboxylate
CID 79571458
ethyl 2-[2-(3,3-dimethylbutoxy)ethyl]-1-(methylamino)cyclopentane-1-carboxylate
CID 79587367
methyl 1-(methylamino)-2-[2-(oxan-4-ylmethoxy)ethyl]cyclopentane-1-carboxylate
CID 79587507
methyl 1-(methylamino)-2-[2-(oxolan-3-ylmethoxy)ethyl]cyclopentane-1-carboxylate
CID 79571672
ethyl 1-(methylamino)-2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentane-1-carboxylate
CID 107755206
ethyl 1-(methylamino)-2-[2-(2-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carboxylate
CID 79577573
ethyl 2-methyl-1-(methylamino)cyclopentane-1-carboxylate
CID 65045182
1-(cyclopropylamino)-2-[2-(oxolan-3-yloxy)ethyl]cyclopentane-1-carboxylic acid
CID 79587752
ethyl 1-(ethylamino)-2-(2-morpholin-4-ylethyl)cyclopentane-1-carboxylate
CID 79576046

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(methylamino)-2-[2-(oxan-4-yloxy)ethyl]cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-(methylamino)-2-[2-(oxan-4-yloxy)ethyl]cyclopentane-1-carboxylate (CID 79567356) is ethyl 1-(methylamino)-2-[2-(oxan-4-yloxy)ethyl]cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-(methylamino)-2-[2-(oxan-4-yloxy)ethyl]cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-(methylamino)-2-[2-(oxan-4-yloxy)ethyl]cyclopentane-1-carboxylate is CCOC(=O)C1(NC)CCCC1CCOC1CCOCC1.
What is the InChIKey of ethyl 1-(methylamino)-2-[2-(oxan-4-yloxy)ethyl]cyclopentane-1-carboxylate?
The InChIKey is LLNHKKZBRRMRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO4/c1-3-20-15(18)16(17-2)9-4-5-13(16)6-12-21-14-7-10-19-11-8-14/h13-14,17H,3-12H2,1-2H3.
What are the key properties of ethyl 1-(methylamino)-2-[2-(oxan-4-yloxy)ethyl]cyclopentane-1-carboxylate?
ethyl 1-(methylamino)-2-[2-(oxan-4-yloxy)ethyl]cyclopentane-1-carboxylate has a molecular weight of 299.41 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(methylamino)-2-[2-(oxan-4-yloxy)ethyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 79567356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).