methyl 5-[1-[(1-methylcyclopentyl)methylamino]ethyl]furan-2-carboxylate

C15H23NO3 — CID 103250815

IUPACmethyl 5-[1-[(1-methylcyclopentyl)methylamino]ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)NCC2(C)CCCC2)o1
InChIInChI=1S/C15H23NO3/c1-11(16-10-15(2)8-4-5-9-15)12-6-7-13(19-12)14(17)18-3/h6-7,11,16H,4-5,8-10H2,1-3H3
InChIKeyTUFKZICATMQMMQ-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.30
Rot. Bonds5

About methyl 5-[1-[(1-methylcyclopentyl)methylamino]ethyl]furan-2-carboxylate

methyl 5-[1-[(1-methylcyclopentyl)methylamino]ethyl]furan-2-carboxylate (PubChem CID 103250815) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is methyl 5-[1-[(1-methylcyclopentyl)methylamino]ethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-[(1-methylcyclopentyl)methylamino]ethyl]furan-2-carboxylate
PubChem CID103250815
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namemethyl 5-[1-[(1-methylcyclopentyl)methylamino]ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)NCC2(C)CCCC2)o1
InChIInChI=1S/C15H23NO3/c1-11(16-10-15(2)8-4-5-9-15)12-6-7-13(19-12)14(17)18-3/h6-7,11,16H,4-5,8-10H2,1-3H3
InChIKeyTUFKZICATMQMMQ-UHFFFAOYSA-N
XLogP3.30
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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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Related Compounds

methyl 5-[1-[(1-methoxycyclobutyl)methylamino]ethyl]furan-2-carboxylate
CID 114120002
methyl 5-[1-[(2,2-dimethylcyclopentyl)amino]ethyl]furan-2-carboxylate
CID 103256680
methyl 5-[1-[[3-(ethylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate
CID 103263193
methyl 5-[1-(3-ethylpentan-3-ylamino)ethyl]furan-2-carboxylate
CID 103253848
methyl 5-[1-(2-ethoxyethylamino)ethyl]furan-2-carboxylate
CID 103230134
methyl 5-[1-[(3-hydroxy-2,2-dimethylpropyl)amino]ethyl]furan-2-carboxylate
CID 103260398
methyl 5-[1-(but-3-ynylamino)ethyl]furan-2-carboxylate
CID 103251131
methyl 5-[1-[[3-oxo-3-(propylamino)propyl]amino]ethyl]furan-2-carboxylate
CID 103246824
methyl 5-[1-(2-cyclohexyloxyethylamino)ethyl]furan-2-carboxylate
CID 103251686
methyl 5-[1-[3-(dimethylamino)propylamino]ethyl]furan-2-carboxylate
CID 103235987
methyl 5-[1-(2-phenylpropylamino)ethyl]furan-2-carboxylate
CID 103265575
methyl 5-[1-(3-methylsulfanylbutylamino)ethyl]furan-2-carboxylate
CID 103266742

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-[(1-methylcyclopentyl)methylamino]ethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[1-[(1-methylcyclopentyl)methylamino]ethyl]furan-2-carboxylate (CID 103250815) is methyl 5-[1-[(1-methylcyclopentyl)methylamino]ethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[1-[(1-methylcyclopentyl)methylamino]ethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[1-[(1-methylcyclopentyl)methylamino]ethyl]furan-2-carboxylate is COC(=O)c1ccc(C(C)NCC2(C)CCCC2)o1.
What is the InChIKey of methyl 5-[1-[(1-methylcyclopentyl)methylamino]ethyl]furan-2-carboxylate?
The InChIKey is TUFKZICATMQMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(16-10-15(2)8-4-5-9-15)12-6-7-13(19-12)14(17)18-3/h6-7,11,16H,4-5,8-10H2,1-3H3.
What are the key properties of methyl 5-[1-[(1-methylcyclopentyl)methylamino]ethyl]furan-2-carboxylate?
methyl 5-[1-[(1-methylcyclopentyl)methylamino]ethyl]furan-2-carboxylate has a molecular weight of 265.35 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-[(1-methylcyclopentyl)methylamino]ethyl]furan-2-carboxylate is sourced from PubChem (CID 103250815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).