methyl 4-amino-3-(furan-3-yl)hexanoate

C11H17NO3 — CID 66097088

IUPACmethyl 4-amino-3-(furan-3-yl)hexanoate
SMILESCCC(N)C(CC(=O)OC)c1ccoc1
InChIInChI=1S/C11H17NO3/c1-3-10(12)9(6-11(13)14-2)8-4-5-15-7-8/h4-5,7,9-10H,3,6,12H2,1-2H3
InChIKeyFHFZPECBXSQDKL-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.66
Rot. Bonds5

About methyl 4-amino-3-(furan-3-yl)hexanoate

methyl 4-amino-3-(furan-3-yl)hexanoate (PubChem CID 66097088) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is methyl 4-amino-3-(furan-3-yl)hexanoate.

Molecular Properties

Compound Namemethyl 4-amino-3-(furan-3-yl)hexanoate
PubChem CID66097088
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Namemethyl 4-amino-3-(furan-3-yl)hexanoate
SMILESCCC(N)C(CC(=O)OC)c1ccoc1
InChIInChI=1S/C11H17NO3/c1-3-10(12)9(6-11(13)14-2)8-4-5-15-7-8/h4-5,7,9-10H,3,6,12H2,1-2H3
InChIKeyFHFZPECBXSQDKL-UHFFFAOYSA-N
XLogP1.66
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-amino-3-(3,5-dimethylphenyl)hexanoate
CID 66096673
methyl 4-amino-3-(furan-3-yl)butanoate
CID 66096201
methyl 4-amino-3-pyridin-3-ylhexanoate
CID 66097725
methyl 4-amino-3-(2,3-dihydro-1,4-benzodioxin-6-yl)hexanoate
CID 66097936
methyl 4-amino-3-[3-(trifluoromethyl)phenyl]hexanoate
CID 66096264
methyl 4-amino-3-(2-methylpyrimidin-4-yl)hexanoate
CID 115529888
[(1R)-3-ethoxy-1-(furan-3-yl)-3-oxopropyl]azanium
CID 7015544
methyl 4-amino-3-pyrimidin-4-ylhexanoate
CID 66097506
methyl 4-amino-3-(3-propylimidazol-4-yl)hexanoate
CID 66132058
(1S)-1-(furan-3-yl)-2-methylbutan-1-amine
CID 130804211
(1R)-1-(furan-3-yl)-2-methylbutan-1-amine
CID 130986923
ethyl 2-fluoro-2-(furan-3-yl)acetate
CID 79366156

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-(furan-3-yl)hexanoate?
The IUPAC name of methyl 4-amino-3-(furan-3-yl)hexanoate (CID 66097088) is methyl 4-amino-3-(furan-3-yl)hexanoate.
What is the SMILES notation for methyl 4-amino-3-(furan-3-yl)hexanoate?
The canonical SMILES for methyl 4-amino-3-(furan-3-yl)hexanoate is CCC(N)C(CC(=O)OC)c1ccoc1.
What is the InChIKey of methyl 4-amino-3-(furan-3-yl)hexanoate?
The InChIKey is FHFZPECBXSQDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-3-10(12)9(6-11(13)14-2)8-4-5-15-7-8/h4-5,7,9-10H,3,6,12H2,1-2H3.
What are the key properties of methyl 4-amino-3-(furan-3-yl)hexanoate?
methyl 4-amino-3-(furan-3-yl)hexanoate has a molecular weight of 211.26 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-(furan-3-yl)hexanoate is sourced from PubChem (CID 66097088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).