methyl 5-[1-[(2,2-dimethylcyclopentyl)amino]ethyl]furan-2-carboxylate

C15H23NO3 — CID 103256680

IUPACmethyl 5-[1-[(2,2-dimethylcyclopentyl)amino]ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)NC2CCCC2(C)C)o1
InChIInChI=1S/C15H23NO3/c1-10(16-13-6-5-9-15(13,2)3)11-7-8-12(19-11)14(17)18-4/h7-8,10,13,16H,5-6,9H2,1-4H3
InChIKeyKUSRBVSEVNYGMB-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.30
Rot. Bonds4

About methyl 5-[1-[(2,2-dimethylcyclopentyl)amino]ethyl]furan-2-carboxylate

methyl 5-[1-[(2,2-dimethylcyclopentyl)amino]ethyl]furan-2-carboxylate (PubChem CID 103256680) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is methyl 5-[1-[(2,2-dimethylcyclopentyl)amino]ethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-[(2,2-dimethylcyclopentyl)amino]ethyl]furan-2-carboxylate
PubChem CID103256680
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namemethyl 5-[1-[(2,2-dimethylcyclopentyl)amino]ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)NC2CCCC2(C)C)o1
InChIInChI=1S/C15H23NO3/c1-10(16-13-6-5-9-15(13,2)3)11-7-8-12(19-11)14(17)18-4/h7-8,10,13,16H,5-6,9H2,1-4H3
InChIKeyKUSRBVSEVNYGMB-UHFFFAOYSA-N
XLogP3.30
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-[(2,2-dimethylcyclopentyl)amino]ethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[1-[(2,2-dimethylcyclopentyl)amino]ethyl]furan-2-carboxylate (CID 103256680) is methyl 5-[1-[(2,2-dimethylcyclopentyl)amino]ethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[1-[(2,2-dimethylcyclopentyl)amino]ethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[1-[(2,2-dimethylcyclopentyl)amino]ethyl]furan-2-carboxylate is COC(=O)c1ccc(C(C)NC2CCCC2(C)C)o1.
What is the InChIKey of methyl 5-[1-[(2,2-dimethylcyclopentyl)amino]ethyl]furan-2-carboxylate?
The InChIKey is KUSRBVSEVNYGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-10(16-13-6-5-9-15(13,2)3)11-7-8-12(19-11)14(17)18-4/h7-8,10,13,16H,5-6,9H2,1-4H3.
What are the key properties of methyl 5-[1-[(2,2-dimethylcyclopentyl)amino]ethyl]furan-2-carboxylate?
methyl 5-[1-[(2,2-dimethylcyclopentyl)amino]ethyl]furan-2-carboxylate has a molecular weight of 265.35 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-[(2,2-dimethylcyclopentyl)amino]ethyl]furan-2-carboxylate is sourced from PubChem (CID 103256680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).