methyl 2-amino-3-[[3-(2-ethylfuran-3-yl)-5-fluorobenzoyl]amino]propanoate

C17H19FN2O4 — CID 167117372

IUPACmethyl 2-amino-3-[[3-(2-ethylfuran-3-yl)-5-fluorobenzoyl]amino]propanoate
SMILESCCc1occc1-c1cc(F)cc(C(=O)NCC(N)C(=O)OC)c1
InChIInChI=1S/C17H19FN2O4/c1-3-15-13(4-5-24-15)10-6-11(8-12(18)7-10)16(21)20-9-14(19)17(22)23-2/h4-8,14H,3,9,19H2,1-2H3,(H,20,21)
InChIKeyURUGAUKJHOMAAD-UHFFFAOYSA-N
MW334.35 g/mol
LogP1.88
Rot. Bonds6

About methyl 2-amino-3-[[3-(2-ethylfuran-3-yl)-5-fluorobenzoyl]amino]propanoate

methyl 2-amino-3-[[3-(2-ethylfuran-3-yl)-5-fluorobenzoyl]amino]propanoate (PubChem CID 167117372) has the molecular formula C17H19FN2O4 and a molecular weight of 334.35 g/mol. Its IUPAC name is methyl 2-amino-3-[[3-(2-ethylfuran-3-yl)-5-fluorobenzoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-[[3-(2-ethylfuran-3-yl)-5-fluorobenzoyl]amino]propanoate
PubChem CID167117372
Molecular FormulaC17H19FN2O4
Molecular Weight334.35 g/mol
Exact Mass334.13
IUPAC Namemethyl 2-amino-3-[[3-(2-ethylfuran-3-yl)-5-fluorobenzoyl]amino]propanoate
SMILESCCc1occc1-c1cc(F)cc(C(=O)NCC(N)C(=O)OC)c1
InChIInChI=1S/C17H19FN2O4/c1-3-15-13(4-5-24-15)10-6-11(8-12(18)7-10)16(21)20-9-14(19)17(22)23-2/h4-8,14H,3,9,19H2,1-2H3,(H,20,21)
InChIKeyURUGAUKJHOMAAD-UHFFFAOYSA-N
XLogP1.88
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-[[3-(2-ethylfuran-3-yl)-5-fluorobenzoyl]amino]propanoate?
The IUPAC name of methyl 2-amino-3-[[3-(2-ethylfuran-3-yl)-5-fluorobenzoyl]amino]propanoate (CID 167117372) is methyl 2-amino-3-[[3-(2-ethylfuran-3-yl)-5-fluorobenzoyl]amino]propanoate.
What is the SMILES notation for methyl 2-amino-3-[[3-(2-ethylfuran-3-yl)-5-fluorobenzoyl]amino]propanoate?
The canonical SMILES for methyl 2-amino-3-[[3-(2-ethylfuran-3-yl)-5-fluorobenzoyl]amino]propanoate is CCc1occc1-c1cc(F)cc(C(=O)NCC(N)C(=O)OC)c1.
What is the InChIKey of methyl 2-amino-3-[[3-(2-ethylfuran-3-yl)-5-fluorobenzoyl]amino]propanoate?
The InChIKey is URUGAUKJHOMAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4/c1-3-15-13(4-5-24-15)10-6-11(8-12(18)7-10)16(21)20-9-14(19)17(22)23-2/h4-8,14H,3,9,19H2,1-2H3,(H,20,21).
What are the key properties of methyl 2-amino-3-[[3-(2-ethylfuran-3-yl)-5-fluorobenzoyl]amino]propanoate?
methyl 2-amino-3-[[3-(2-ethylfuran-3-yl)-5-fluorobenzoyl]amino]propanoate has a molecular weight of 334.35 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-[[3-(2-ethylfuran-3-yl)-5-fluorobenzoyl]amino]propanoate is sourced from PubChem (CID 167117372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).