ethyl 4-(cyclopentylamino)oxane-4-carboxylate

C13H23NO3 — CID 54892867

IUPACethyl 4-(cyclopentylamino)oxane-4-carboxylate
SMILESCCOC(=O)C1(NC2CCCC2)CCOCC1
InChIInChI=1S/C13H23NO3/c1-2-17-12(15)13(7-9-16-10-8-13)14-11-5-3-4-6-11/h11,14H,2-10H2,1H3
InChIKeyXTCDKZGNAYWBFU-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.63
Rot. Bonds4

About ethyl 4-(cyclopentylamino)oxane-4-carboxylate

ethyl 4-(cyclopentylamino)oxane-4-carboxylate (PubChem CID 54892867) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is ethyl 4-(cyclopentylamino)oxane-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-(cyclopentylamino)oxane-4-carboxylate
PubChem CID54892867
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nameethyl 4-(cyclopentylamino)oxane-4-carboxylate
SMILESCCOC(=O)C1(NC2CCCC2)CCOCC1
InChIInChI=1S/C13H23NO3/c1-2-17-12(15)13(7-9-16-10-8-13)14-11-5-3-4-6-11/h11,14H,2-10H2,1H3
InChIKeyXTCDKZGNAYWBFU-UHFFFAOYSA-N
XLogP1.63
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(cyclopentylamino)cyclobutane-1-carboxylate
CID 62389815
ethyl 1-(cyclopentylamino)cyclooctane-1-carboxylate
CID 54892627
ethyl 4-tert-butyl-1-(cyclopentylamino)cyclohexane-1-carboxylate
CID 63524112
methyl 4-(cycloheptylamino)oxepane-4-carboxylate
CID 65079295
methyl 4-(cyclopropylamino)oxane-4-carboxylate
CID 60796151
ethyl 4-(cyclohexylamino)-1-ethylazepane-4-carboxylate
CID 65075658
ethyl 1-(cyclohexylamino)-3-ethylcyclopentane-1-carboxylate
CID 64514272
ethyl 1-(cyclopropylamino)-3-morpholin-4-ylcyclopentane-1-carboxylate
CID 79650253
ethyl 3-(cycloheptylamino)-5-methylthiolane-3-carboxylate
CID 79949178
ethyl 4-(butan-2-ylamino)oxepane-4-carboxylate
CID 65079406
ethyl 3-(cyclopentylmethylsulfanyl)-1-(cyclopropylamino)cyclopentane-1-carboxylate
CID 79646486
ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-4-carboxylate
CID 67520206

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(cyclopentylamino)oxane-4-carboxylate?
The IUPAC name of ethyl 4-(cyclopentylamino)oxane-4-carboxylate (CID 54892867) is ethyl 4-(cyclopentylamino)oxane-4-carboxylate.
What is the SMILES notation for ethyl 4-(cyclopentylamino)oxane-4-carboxylate?
The canonical SMILES for ethyl 4-(cyclopentylamino)oxane-4-carboxylate is CCOC(=O)C1(NC2CCCC2)CCOCC1.
What is the InChIKey of ethyl 4-(cyclopentylamino)oxane-4-carboxylate?
The InChIKey is XTCDKZGNAYWBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-2-17-12(15)13(7-9-16-10-8-13)14-11-5-3-4-6-11/h11,14H,2-10H2,1H3.
What are the key properties of ethyl 4-(cyclopentylamino)oxane-4-carboxylate?
ethyl 4-(cyclopentylamino)oxane-4-carboxylate has a molecular weight of 241.33 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(cyclopentylamino)oxane-4-carboxylate is sourced from PubChem (CID 54892867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).