ethyl 1-(methylamino)-3-(2-methylbutan-2-yloxy)cyclopentane-1-carboxylate

C14H27NO3 — CID 79648432

IUPACethyl 1-(methylamino)-3-(2-methylbutan-2-yloxy)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(NC)CCC(OC(C)(C)CC)C1
InChIInChI=1S/C14H27NO3/c1-6-13(3,4)18-11-8-9-14(10-11,15-5)12(16)17-7-2/h11,15H,6-10H2,1-5H3
InChIKeyLRSDXSICRQHNOT-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.27
Rot. Bonds6

About ethyl 1-(methylamino)-3-(2-methylbutan-2-yloxy)cyclopentane-1-carboxylate

ethyl 1-(methylamino)-3-(2-methylbutan-2-yloxy)cyclopentane-1-carboxylate (PubChem CID 79648432) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is ethyl 1-(methylamino)-3-(2-methylbutan-2-yloxy)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(methylamino)-3-(2-methylbutan-2-yloxy)cyclopentane-1-carboxylate
PubChem CID79648432
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Nameethyl 1-(methylamino)-3-(2-methylbutan-2-yloxy)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(NC)CCC(OC(C)(C)CC)C1
InChIInChI=1S/C14H27NO3/c1-6-13(3,4)18-11-8-9-14(10-11,15-5)12(16)17-7-2/h11,15H,6-10H2,1-5H3
InChIKeyLRSDXSICRQHNOT-UHFFFAOYSA-N
XLogP2.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(cyclopropylamino)-3-(2-methylbutan-2-yloxy)cyclopentane-1-carboxylate
CID 79648737
methyl 3-(2-methylbutan-2-yloxy)-1-(propylamino)cyclopentane-1-carboxylate
CID 79649126
ethyl 1-(methylamino)-3-[methyl(2-methylbutan-2-yl)amino]cyclohexane-1-carboxylate
CID 79641781
ethyl 1-(methylamino)-3-octan-2-yloxycyclopentane-1-carboxylate
CID 79646964
1-(methylamino)-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid
CID 79648508
ethyl 3-[4-(hydroxymethyl)phenoxy]-1-(methylamino)cyclopentane-1-carboxylate
CID 79646696
ethyl 1-(methylamino)-3-methylsulfanylcyclohexane-1-carboxylate
CID 79634657
ethyl 1-(methylamino)-3-pyrrolidin-1-ylcyclopentane-1-carboxylate
CID 79649541
ethyl 3-[ethyl(methyl)amino]-1-(methylamino)cyclopentane-1-carboxylate
CID 79654804
ethyl 3-(2-ethylhexoxy)-1-(methylamino)cyclopentane-1-carboxylate
CID 79646983
ethyl 3-[bis(cyclopropylmethyl)amino]-1-(methylamino)cyclopentane-1-carboxylate
CID 79645182
methyl 1-amino-3-(2-methylbutan-2-yloxy)cyclohexane-1-carboxylate
CID 79638001

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(methylamino)-3-(2-methylbutan-2-yloxy)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-(methylamino)-3-(2-methylbutan-2-yloxy)cyclopentane-1-carboxylate (CID 79648432) is ethyl 1-(methylamino)-3-(2-methylbutan-2-yloxy)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-(methylamino)-3-(2-methylbutan-2-yloxy)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-(methylamino)-3-(2-methylbutan-2-yloxy)cyclopentane-1-carboxylate is CCOC(=O)C1(NC)CCC(OC(C)(C)CC)C1.
What is the InChIKey of ethyl 1-(methylamino)-3-(2-methylbutan-2-yloxy)cyclopentane-1-carboxylate?
The InChIKey is LRSDXSICRQHNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-6-13(3,4)18-11-8-9-14(10-11,15-5)12(16)17-7-2/h11,15H,6-10H2,1-5H3.
What are the key properties of ethyl 1-(methylamino)-3-(2-methylbutan-2-yloxy)cyclopentane-1-carboxylate?
ethyl 1-(methylamino)-3-(2-methylbutan-2-yloxy)cyclopentane-1-carboxylate has a molecular weight of 257.37 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(methylamino)-3-(2-methylbutan-2-yloxy)cyclopentane-1-carboxylate is sourced from PubChem (CID 79648432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).