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

C17H19NO3 — CID 103244659

IUPACmethyl 5-[1-[(2-phenylcyclopropyl)amino]ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)NC2CC2c2ccccc2)o1
InChIInChI=1S/C17H19NO3/c1-11(15-8-9-16(21-15)17(19)20-2)18-14-10-13(14)12-6-4-3-5-7-12/h3-9,11,13-14,18H,10H2,1-2H3
InChIKeyIMPDBIUEKMYOQK-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.27
Rot. Bonds5

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

methyl 5-[1-[(2-phenylcyclopropyl)amino]ethyl]furan-2-carboxylate (PubChem CID 103244659) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is methyl 5-[1-[(2-phenylcyclopropyl)amino]ethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-[(2-phenylcyclopropyl)amino]ethyl]furan-2-carboxylate
PubChem CID103244659
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Namemethyl 5-[1-[(2-phenylcyclopropyl)amino]ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)NC2CC2c2ccccc2)o1
InChIInChI=1S/C17H19NO3/c1-11(15-8-9-16(21-15)17(19)20-2)18-14-10-13(14)12-6-4-3-5-7-12/h3-9,11,13-14,18H,10H2,1-2H3
InChIKeyIMPDBIUEKMYOQK-UHFFFAOYSA-N
XLogP3.27
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[1-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethyl]furan-2-carboxylate
CID 103258490
methyl 5-[1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)ethyl]furan-2-carboxylate
CID 103246667
methyl 5-[1-[(4-carbamoylcyclohexyl)amino]ethyl]furan-2-carboxylate
CID 103242653
methyl 5-[1-(2-phenylpropylamino)ethyl]furan-2-carboxylate
CID 103265575
methyl 5-[1-[(2,2-dimethylcyclopentyl)amino]ethyl]furan-2-carboxylate
CID 103256680
methyl 2-oxo-2-[(2-phenylcyclopropyl)amino]acetate
CID 112617050
methyl 5-[hydroxy(phenyl)methyl]furan-2-carboxylate
CID 86175043
methyl 4-[[4-[2-[(2-phenylcyclopropyl)amino]acetyl]piperazin-1-yl]methyl]benzoate
CID 153322681
methyl 5-(1-chloroethyl)furan-2-carboxylate
CID 43810601
methyl 5-[1-[[(1S)-1-(furan-2-yl)ethyl]amino]ethyl]furan-2-carboxylate
CID 103260078
methyl 5-[1-(2-hydroxyphenyl)sulfanylethyl]furan-2-carboxylate
CID 79083735
methyl 5-[1-[1-(furan-2-yl)ethylamino]ethyl]furan-2-carboxylate
CID 103616123

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-[(2-phenylcyclopropyl)amino]ethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[1-[(2-phenylcyclopropyl)amino]ethyl]furan-2-carboxylate (CID 103244659) is methyl 5-[1-[(2-phenylcyclopropyl)amino]ethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[1-[(2-phenylcyclopropyl)amino]ethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[1-[(2-phenylcyclopropyl)amino]ethyl]furan-2-carboxylate is COC(=O)c1ccc(C(C)NC2CC2c2ccccc2)o1.
What is the InChIKey of methyl 5-[1-[(2-phenylcyclopropyl)amino]ethyl]furan-2-carboxylate?
The InChIKey is IMPDBIUEKMYOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-11(15-8-9-16(21-15)17(19)20-2)18-14-10-13(14)12-6-4-3-5-7-12/h3-9,11,13-14,18H,10H2,1-2H3.
What are the key properties of methyl 5-[1-[(2-phenylcyclopropyl)amino]ethyl]furan-2-carboxylate?
methyl 5-[1-[(2-phenylcyclopropyl)amino]ethyl]furan-2-carboxylate has a molecular weight of 285.34 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-[(2-phenylcyclopropyl)amino]ethyl]furan-2-carboxylate is sourced from PubChem (CID 103244659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).