3-[ethyl-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]propanoic acid

C17H18FNO5 — CID 119190923

IUPAC3-[ethyl-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)c1ccc(COc2ccc(F)cc2)o1
InChIInChI=1S/C17H18FNO5/c1-2-19(10-9-16(20)21)17(22)15-8-7-14(24-15)11-23-13-5-3-12(18)4-6-13/h3-8H,2,9-11H2,1H3,(H,20,21)
InChIKeyAFENNJRTKPLOQY-UHFFFAOYSA-N
MW335.33 g/mol
LogP2.93
Rot. Bonds8

About 3-[ethyl-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]propanoic acid

3-[ethyl-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]propanoic acid (PubChem CID 119190923) has the molecular formula C17H18FNO5 and a molecular weight of 335.33 g/mol. Its IUPAC name is 3-[ethyl-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]propanoic acid
PubChem CID119190923
Molecular FormulaC17H18FNO5
Molecular Weight335.33 g/mol
Exact Mass335.12
IUPAC Name3-[ethyl-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)c1ccc(COc2ccc(F)cc2)o1
InChIInChI=1S/C17H18FNO5/c1-2-19(10-9-16(20)21)17(22)15-8-7-14(24-15)11-23-13-5-3-12(18)4-6-13/h3-8H,2,9-11H2,1H3,(H,20,21)
InChIKeyAFENNJRTKPLOQY-UHFFFAOYSA-N
XLogP2.93
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[5-[(3-bromophenoxy)methyl]furan-2-carbonyl]-ethylamino]propanoic acid
CID 119191630
N-benzyl-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide
CID 51147848
5-[(4-fluorophenoxy)methyl]-N-(3-hydroxybutyl)-N-methylfuran-2-carboxamide
CID 111695820
5-[(4-fluorophenoxy)methyl]-N-(2-hydroxy-2-methylpropyl)-N-methylfuran-2-carboxamide
CID 111579452
3-[ethyl-[4-(4-fluorophenoxy)butanoyl]amino]propanoic acid
CID 61006801
5-[(4-fluorophenoxy)methyl]-N-methyl-N-piperidin-4-ylfuran-2-carboxamide
CID 119441155
3-[ethyl-(4-fluorobenzoyl)amino]propanoic acid
CID 61006685
N-[(4-fluorophenyl)methyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 7975174
N'-benzoyl-5-[(4-fluorophenoxy)methyl]furan-2-carbohydrazide
CID 27555711
N-(4-carbamoylphenyl)-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide
CID 55903829
3-[(3,4-difluorophenyl)methyl-[5-(methoxymethyl)furan-2-carbonyl]amino]propanoic acid
CID 119208003
5-[(4-fluorophenoxy)methyl]-N-[2-(4-methoxyphenyl)ethyl]furan-2-carboxamide
CID 55344956

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[ethyl-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]propanoic acid (CID 119190923) is 3-[ethyl-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[ethyl-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]propanoic acid is CCN(CCC(=O)O)C(=O)c1ccc(COc2ccc(F)cc2)o1.
What is the InChIKey of 3-[ethyl-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]propanoic acid?
The InChIKey is AFENNJRTKPLOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO5/c1-2-19(10-9-16(20)21)17(22)15-8-7-14(24-15)11-23-13-5-3-12(18)4-6-13/h3-8H,2,9-11H2,1H3,(H,20,21).
What are the key properties of 3-[ethyl-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]propanoic acid?
3-[ethyl-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]propanoic acid has a molecular weight of 335.33 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]propanoic acid is sourced from PubChem (CID 119190923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).