3-[ethyl-(4-fluorobenzoyl)amino]propanoic acid

C12H14FNO3 — CID 61006685

IUPAC3-[ethyl-(4-fluorobenzoyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)c1ccc(F)cc1
InChIInChI=1S/C12H14FNO3/c1-2-14(8-7-11(15)16)12(17)9-3-5-10(13)6-4-9/h3-6H,2,7-8H2,1H3,(H,15,16)
InChIKeyDRHNQUVDQVCISN-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.76
Rot. Bonds5

About 3-[ethyl-(4-fluorobenzoyl)amino]propanoic acid

3-[ethyl-(4-fluorobenzoyl)amino]propanoic acid (PubChem CID 61006685) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is 3-[ethyl-(4-fluorobenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-(4-fluorobenzoyl)amino]propanoic acid
PubChem CID61006685
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC Name3-[ethyl-(4-fluorobenzoyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)c1ccc(F)cc1
InChIInChI=1S/C12H14FNO3/c1-2-14(8-7-11(15)16)12(17)9-3-5-10(13)6-4-9/h3-6H,2,7-8H2,1H3,(H,15,16)
InChIKeyDRHNQUVDQVCISN-UHFFFAOYSA-N
XLogP1.76
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[4-(diethylcarbamoyl)benzoyl]-ethylamino]propanoic acid
CID 120685979
3-[(4-bromobenzoyl)-ethylamino]propanoic acid
CID 61007317
3-[(4-cyanobenzoyl)-ethylamino]propanoic acid
CID 54899068
3-[ethyl-(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
CID 54898737
3-[ethyl-(4-propan-2-yloxybenzoyl)amino]propanoic acid
CID 61007975
3-[ethyl-[4-(methanesulfonamido)benzoyl]amino]propanoic acid
CID 61008573
3-[ethyl-(3-fluoro-4-methoxybenzoyl)amino]propanoic acid
CID 54898966
N-(2-amino-2-oxoethyl)-N-ethyl-4-fluorobenzamide
CID 103101753
ethyl 7-[ethyl-(4-fluorobenzoyl)amino]heptanoate
CID 163254624
2-[2-carboxyethyl-(4-fluorobenzoyl)amino]propanoic acid
CID 82324857
3-[(4-fluorobenzoyl)-(pyridin-3-ylmethyl)amino]propanoic acid
CID 82324870
3-[[4-(butan-2-ylsulfamoyl)benzoyl]-ethylamino]propanoic acid
CID 119190814

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(4-fluorobenzoyl)amino]propanoic acid?
The IUPAC name of 3-[ethyl-(4-fluorobenzoyl)amino]propanoic acid (CID 61006685) is 3-[ethyl-(4-fluorobenzoyl)amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-(4-fluorobenzoyl)amino]propanoic acid?
The canonical SMILES for 3-[ethyl-(4-fluorobenzoyl)amino]propanoic acid is CCN(CCC(=O)O)C(=O)c1ccc(F)cc1.
What is the InChIKey of 3-[ethyl-(4-fluorobenzoyl)amino]propanoic acid?
The InChIKey is DRHNQUVDQVCISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3/c1-2-14(8-7-11(15)16)12(17)9-3-5-10(13)6-4-9/h3-6H,2,7-8H2,1H3,(H,15,16).
What are the key properties of 3-[ethyl-(4-fluorobenzoyl)amino]propanoic acid?
3-[ethyl-(4-fluorobenzoyl)amino]propanoic acid has a molecular weight of 239.25 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(4-fluorobenzoyl)amino]propanoic acid is sourced from PubChem (CID 61006685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).