methyl 4-amino-3-(5-ethylfuran-2-yl)pentanoate

C12H19NO3 — CID 66098536

IUPACmethyl 4-amino-3-(5-ethylfuran-2-yl)pentanoate
SMILESCCc1ccc(C(CC(=O)OC)C(C)N)o1
InChIInChI=1S/C12H19NO3/c1-4-9-5-6-11(16-9)10(8(2)13)7-12(14)15-3/h5-6,8,10H,4,7,13H2,1-3H3
InChIKeyKBBJFFHOJJIUEB-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.84
Rot. Bonds5

About methyl 4-amino-3-(5-ethylfuran-2-yl)pentanoate

methyl 4-amino-3-(5-ethylfuran-2-yl)pentanoate (PubChem CID 66098536) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is methyl 4-amino-3-(5-ethylfuran-2-yl)pentanoate.

Molecular Properties

Compound Namemethyl 4-amino-3-(5-ethylfuran-2-yl)pentanoate
PubChem CID66098536
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Namemethyl 4-amino-3-(5-ethylfuran-2-yl)pentanoate
SMILESCCc1ccc(C(CC(=O)OC)C(C)N)o1
InChIInChI=1S/C12H19NO3/c1-4-9-5-6-11(16-9)10(8(2)13)7-12(14)15-3/h5-6,8,10H,4,7,13H2,1-3H3
InChIKeyKBBJFFHOJJIUEB-UHFFFAOYSA-N
XLogP1.84
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-(5-ethylfuran-2-yl)pentanoate?
The IUPAC name of methyl 4-amino-3-(5-ethylfuran-2-yl)pentanoate (CID 66098536) is methyl 4-amino-3-(5-ethylfuran-2-yl)pentanoate.
What is the SMILES notation for methyl 4-amino-3-(5-ethylfuran-2-yl)pentanoate?
The canonical SMILES for methyl 4-amino-3-(5-ethylfuran-2-yl)pentanoate is CCc1ccc(C(CC(=O)OC)C(C)N)o1.
What is the InChIKey of methyl 4-amino-3-(5-ethylfuran-2-yl)pentanoate?
The InChIKey is KBBJFFHOJJIUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-4-9-5-6-11(16-9)10(8(2)13)7-12(14)15-3/h5-6,8,10H,4,7,13H2,1-3H3.
What are the key properties of methyl 4-amino-3-(5-ethylfuran-2-yl)pentanoate?
methyl 4-amino-3-(5-ethylfuran-2-yl)pentanoate has a molecular weight of 225.29 g/mol, XLogP of 1.84, 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-(5-ethylfuran-2-yl)pentanoate is sourced from PubChem (CID 66098536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).