ethyl 2-(5-bromofuran-2-yl)-2-(cyclopentylamino)propanoate

C14H20BrNO3 — CID 113437629

IUPACethyl 2-(5-bromofuran-2-yl)-2-(cyclopentylamino)propanoate
SMILESCCOC(=O)C(C)(NC1CCCC1)c1ccc(Br)o1
InChIInChI=1S/C14H20BrNO3/c1-3-18-13(17)14(2,11-8-9-12(15)19-11)16-10-6-4-5-7-10/h8-10,16H,3-7H2,1-2H3
InChIKeyLXVMWRXTFUTKFA-UHFFFAOYSA-N
MW330.22 g/mol
LogP3.35
Rot. Bonds5

About ethyl 2-(5-bromofuran-2-yl)-2-(cyclopentylamino)propanoate

ethyl 2-(5-bromofuran-2-yl)-2-(cyclopentylamino)propanoate (PubChem CID 113437629) has the molecular formula C14H20BrNO3 and a molecular weight of 330.22 g/mol. Its IUPAC name is ethyl 2-(5-bromofuran-2-yl)-2-(cyclopentylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(5-bromofuran-2-yl)-2-(cyclopentylamino)propanoate
PubChem CID113437629
Molecular FormulaC14H20BrNO3
Molecular Weight330.22 g/mol
Exact Mass329.06
IUPAC Nameethyl 2-(5-bromofuran-2-yl)-2-(cyclopentylamino)propanoate
SMILESCCOC(=O)C(C)(NC1CCCC1)c1ccc(Br)o1
InChIInChI=1S/C14H20BrNO3/c1-3-18-13(17)14(2,11-8-9-12(15)19-11)16-10-6-4-5-7-10/h8-10,16H,3-7H2,1-2H3
InChIKeyLXVMWRXTFUTKFA-UHFFFAOYSA-N
XLogP3.35
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-bromofuran-2-yl)ethyl]-1-(furan-2-yl)-2-methoxyethanamine
CID 121520625
1-(5-bromofuran-2-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207739
1-(5-bromofuran-2-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207741
1-(3-bromofuran-2-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215361
1-(3-bromofuran-2-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215364
N-[1-(3-bromofuran-2-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 103215366
1-(3-bromofuran-2-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475820
N-[1-(3-bromofuran-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine
CID 103475946
1-(5-bromofuran-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 104653014
2-(5-Bromofuran-2-yl)-2-(2,2,2-trifluoroethylamino)propanamide
CID 104653438
2-(5-Bromofuran-2-yl)-2-(2,2,2-trifluoroethylamino)propanoic acid
CID 104653439
Methyl 2-(5-bromofuran-2-yl)-2-(2,2,2-trifluoroethylamino)propanoate
CID 104653440

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-bromofuran-2-yl)-2-(cyclopentylamino)propanoate?
The IUPAC name of ethyl 2-(5-bromofuran-2-yl)-2-(cyclopentylamino)propanoate (CID 113437629) is ethyl 2-(5-bromofuran-2-yl)-2-(cyclopentylamino)propanoate.
What is the SMILES notation for ethyl 2-(5-bromofuran-2-yl)-2-(cyclopentylamino)propanoate?
The canonical SMILES for ethyl 2-(5-bromofuran-2-yl)-2-(cyclopentylamino)propanoate is CCOC(=O)C(C)(NC1CCCC1)c1ccc(Br)o1.
What is the InChIKey of ethyl 2-(5-bromofuran-2-yl)-2-(cyclopentylamino)propanoate?
The InChIKey is LXVMWRXTFUTKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3/c1-3-18-13(17)14(2,11-8-9-12(15)19-11)16-10-6-4-5-7-10/h8-10,16H,3-7H2,1-2H3.
What are the key properties of ethyl 2-(5-bromofuran-2-yl)-2-(cyclopentylamino)propanoate?
ethyl 2-(5-bromofuran-2-yl)-2-(cyclopentylamino)propanoate has a molecular weight of 330.22 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-bromofuran-2-yl)-2-(cyclopentylamino)propanoate is sourced from PubChem (CID 113437629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).