3-[ethyl-[3-(4-fluorophenoxy)propanoyl]amino]-2-methylpropanoic acid

C15H20FNO4 — CID 62826123

IUPAC3-[ethyl-[3-(4-fluorophenoxy)propanoyl]amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)CCOc1ccc(F)cc1
InChIInChI=1S/C15H20FNO4/c1-3-17(10-11(2)15(19)20)14(18)8-9-21-13-6-4-12(16)5-7-13/h4-7,11H,3,8-10H2,1-2H3,(H,19,20)
InChIKeyWQFJLZVFSWCHQN-UHFFFAOYSA-N
MW297.33 g/mol
LogP2.16
Rot. Bonds8

About 3-[ethyl-[3-(4-fluorophenoxy)propanoyl]amino]-2-methylpropanoic acid

3-[ethyl-[3-(4-fluorophenoxy)propanoyl]amino]-2-methylpropanoic acid (PubChem CID 62826123) has the molecular formula C15H20FNO4 and a molecular weight of 297.33 g/mol. Its IUPAC name is 3-[ethyl-[3-(4-fluorophenoxy)propanoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl-[3-(4-fluorophenoxy)propanoyl]amino]-2-methylpropanoic acid
PubChem CID62826123
Molecular FormulaC15H20FNO4
Molecular Weight297.33 g/mol
Exact Mass297.14
IUPAC Name3-[ethyl-[3-(4-fluorophenoxy)propanoyl]amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)CCOc1ccc(F)cc1
InChIInChI=1S/C15H20FNO4/c1-3-17(10-11(2)15(19)20)14(18)8-9-21-13-6-4-12(16)5-7-13/h4-7,11H,3,8-10H2,1-2H3,(H,19,20)
InChIKeyWQFJLZVFSWCHQN-UHFFFAOYSA-N
XLogP2.16
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl-[3-(4-methylphenoxy)propanoyl]amino]-2-methylpropanoic acid
CID 62827385
3-[2-(4-fluorophenoxy)ethyl-methylamino]-2-methylpropanoic acid
CID 55007792
3-[ethyl-[4-(4-fluorophenoxy)butanoyl]amino]propanoic acid
CID 61006801
2-[4-(4-fluorophenoxy)butanoyl-methylamino]propanoic acid
CID 62628008
3-[4-(4-fluorophenoxy)butanoyl-(2-methylpropyl)amino]propanoic acid
CID 119190522
3-[(4-fluorophenyl)methyl-propanoylamino]-2-methylpropanoic acid
CID 82323322
3-[ethyl-[(4-fluorophenyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62828090
N-(1-aminopropan-2-yl)-4-(4-fluorophenoxy)-N-methylbutanamide
CID 119582440
(2S)-2-[3-(4-fluorophenoxy)propanoylamino]-4-methylpentanoic acid
CID 61137913
2-[3-(4-fluorophenoxy)propanoylamino]-4-methylpentanoic acid
CID 43353252
N-benzyl-N-(1-cyclopropylethyl)-3-(4-fluorophenoxy)propanamide
CID 55595511
3-[ethyl-[1-(4-fluorophenyl)ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 62853029

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[3-(4-fluorophenoxy)propanoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[ethyl-[3-(4-fluorophenoxy)propanoyl]amino]-2-methylpropanoic acid (CID 62826123) is 3-[ethyl-[3-(4-fluorophenoxy)propanoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[ethyl-[3-(4-fluorophenoxy)propanoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[ethyl-[3-(4-fluorophenoxy)propanoyl]amino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)C(=O)CCOc1ccc(F)cc1.
What is the InChIKey of 3-[ethyl-[3-(4-fluorophenoxy)propanoyl]amino]-2-methylpropanoic acid?
The InChIKey is WQFJLZVFSWCHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO4/c1-3-17(10-11(2)15(19)20)14(18)8-9-21-13-6-4-12(16)5-7-13/h4-7,11H,3,8-10H2,1-2H3,(H,19,20).
What are the key properties of 3-[ethyl-[3-(4-fluorophenoxy)propanoyl]amino]-2-methylpropanoic acid?
3-[ethyl-[3-(4-fluorophenoxy)propanoyl]amino]-2-methylpropanoic acid has a molecular weight of 297.33 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[3-(4-fluorophenoxy)propanoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 62826123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).