methyl 5-[1-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethyl]furan-2-carboxylate

C14H19NO4 — CID 103258490

IUPACmethyl 5-[1-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)NC2CC3CCC2O3)o1
InChIInChI=1S/C14H19NO4/c1-8(11-5-6-13(19-11)14(16)17-2)15-10-7-9-3-4-12(10)18-9/h5-6,8-10,12,15H,3-4,7H2,1-2H3
InChIKeyFNDPMHFUZZGFLO-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.04
Rot. Bonds4

About methyl 5-[1-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethyl]furan-2-carboxylate

methyl 5-[1-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethyl]furan-2-carboxylate (PubChem CID 103258490) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 5-[1-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethyl]furan-2-carboxylate
PubChem CID103258490
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl 5-[1-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)NC2CC3CCC2O3)o1
InChIInChI=1S/C14H19NO4/c1-8(11-5-6-13(19-11)14(16)17-2)15-10-7-9-3-4-12(10)18-9/h5-6,8-10,12,15H,3-4,7H2,1-2H3
InChIKeyFNDPMHFUZZGFLO-UHFFFAOYSA-N
XLogP2.04
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-[1-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethyl]furan-2-carboxylate with MolForge

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Related Compounds

methyl 5-[1-[(2-phenylcyclopropyl)amino]ethyl]furan-2-carboxylate
CID 103244659
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 4-[(7-oxabicyclo[2.2.1]heptan-2-ylamino)methyl]benzoate
CID 80715814
2-[1-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethyl]benzene-1,3-diol
CID 107711100
methyl 5-[1-[(2,2-dimethylcyclopentyl)amino]ethyl]furan-2-carboxylate
CID 103256680
methyl 5-[1-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)ethyl]furan-2-carboxylate
CID 103249506
3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)butanoic acid
CID 80721144
5-[1-(1-azabicyclo[2.2.2]octan-3-ylamino)ethyl]furan-2-carboxylic acid
CID 103235385
(1R,2S,4R)-N-[(1S)-1-(4-fluoro-3-methoxyphenyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 129378888
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

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[1-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethyl]furan-2-carboxylate (CID 103258490) is methyl 5-[1-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[1-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[1-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethyl]furan-2-carboxylate is COC(=O)c1ccc(C(C)NC2CC3CCC2O3)o1.
What is the InChIKey of methyl 5-[1-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethyl]furan-2-carboxylate?
The InChIKey is FNDPMHFUZZGFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-8(11-5-6-13(19-11)14(16)17-2)15-10-7-9-3-4-12(10)18-9/h5-6,8-10,12,15H,3-4,7H2,1-2H3.
What are the key properties of methyl 5-[1-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethyl]furan-2-carboxylate?
methyl 5-[1-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethyl]furan-2-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethyl]furan-2-carboxylate is sourced from PubChem (CID 103258490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).