ethyl 3-(oxolan-3-ylmethoxy)-1-(propylamino)cyclopentane-1-carboxylate

C16H29NO4 — CID 79646705

IUPACethyl 3-(oxolan-3-ylmethoxy)-1-(propylamino)cyclopentane-1-carboxylate
SMILESCCCNC1(C(=O)OCC)CCC(OCC2CCOC2)C1
InChIInChI=1S/C16H29NO4/c1-3-8-17-16(15(18)20-4-2)7-5-14(10-16)21-12-13-6-9-19-11-13/h13-14,17H,3-12H2,1-2H3
InChIKeyIMSWJFUFTNXBSG-UHFFFAOYSA-N
MW299.41 g/mol
LogP1.89
Rot. Bonds8

About ethyl 3-(oxolan-3-ylmethoxy)-1-(propylamino)cyclopentane-1-carboxylate

ethyl 3-(oxolan-3-ylmethoxy)-1-(propylamino)cyclopentane-1-carboxylate (PubChem CID 79646705) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is ethyl 3-(oxolan-3-ylmethoxy)-1-(propylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(oxolan-3-ylmethoxy)-1-(propylamino)cyclopentane-1-carboxylate
PubChem CID79646705
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Nameethyl 3-(oxolan-3-ylmethoxy)-1-(propylamino)cyclopentane-1-carboxylate
SMILESCCCNC1(C(=O)OCC)CCC(OCC2CCOC2)C1
InChIInChI=1S/C16H29NO4/c1-3-8-17-16(15(18)20-4-2)7-5-14(10-16)21-12-13-6-9-19-11-13/h13-14,17H,3-12H2,1-2H3
InChIKeyIMSWJFUFTNXBSG-UHFFFAOYSA-N
XLogP1.89
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
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 3-(3,3-dimethylbutoxy)-1-(propylamino)cyclopentane-1-carboxylate
CID 79644709
ethyl 3-(2-cyclopropylethoxy)-1-(propylamino)cyclohexane-1-carboxylate
CID 106204218
methyl 3-(cyclohexylmethoxy)-1-(propylamino)cyclopentane-1-carboxylate
CID 79644428
ethyl 3-(oxan-4-ylsulfanyl)-1-(propylamino)cyclopentane-1-carboxylate
CID 79646481
[3-(oxolan-3-ylmethoxy)-1-(propylamino)cyclohexyl]methanol
CID 79640489
ethyl 3-methoxy-1-(propylamino)cyclohexane-1-carboxylate
CID 79637630
ethyl 1-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclopentane-1-carboxylate
CID 79644712
ethyl 4-methyl-1-(propylamino)cyclohexane-1-carboxylate
CID 60796516
ethyl 3-(dimethylamino)-1-(propylamino)cyclopentane-1-carboxylate
CID 79649561
ethyl 1-(ethylamino)-3-hexoxycyclopentane-1-carboxylate
CID 79648423
ethyl 4-tert-butyl-1-(propylamino)cyclohexane-1-carboxylate
CID 60797035
ethyl 1-(ethylamino)-3-(oxolan-2-ylmethoxy)cyclohexane-1-carboxylate
CID 79634770

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(oxolan-3-ylmethoxy)-1-(propylamino)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 3-(oxolan-3-ylmethoxy)-1-(propylamino)cyclopentane-1-carboxylate (CID 79646705) is ethyl 3-(oxolan-3-ylmethoxy)-1-(propylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 3-(oxolan-3-ylmethoxy)-1-(propylamino)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 3-(oxolan-3-ylmethoxy)-1-(propylamino)cyclopentane-1-carboxylate is CCCNC1(C(=O)OCC)CCC(OCC2CCOC2)C1.
What is the InChIKey of ethyl 3-(oxolan-3-ylmethoxy)-1-(propylamino)cyclopentane-1-carboxylate?
The InChIKey is IMSWJFUFTNXBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO4/c1-3-8-17-16(15(18)20-4-2)7-5-14(10-16)21-12-13-6-9-19-11-13/h13-14,17H,3-12H2,1-2H3.
What are the key properties of ethyl 3-(oxolan-3-ylmethoxy)-1-(propylamino)cyclopentane-1-carboxylate?
ethyl 3-(oxolan-3-ylmethoxy)-1-(propylamino)cyclopentane-1-carboxylate has a molecular weight of 299.41 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(oxolan-3-ylmethoxy)-1-(propylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 79646705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).