3-[N-(cyclopropanecarbonyl)-2-fluoroanilino]propanoic acid

C13H14FNO3 — CID 28764280

IUPAC3-[N-(cyclopropanecarbonyl)-2-fluoroanilino]propanoic acid
SMILESO=C(O)CCN(C(=O)C1CC1)c1ccccc1F
InChIInChI=1S/C13H14FNO3/c14-10-3-1-2-4-11(10)15(8-7-12(16)17)13(18)9-5-6-9/h1-4,9H,5-8H2,(H,16,17)
InChIKeyWMYPIIGXRSMKBM-UHFFFAOYSA-N
MW251.26 g/mol
LogP2.04
Rot. Bonds5

About 3-[N-(cyclopropanecarbonyl)-2-fluoroanilino]propanoic acid

3-[N-(cyclopropanecarbonyl)-2-fluoroanilino]propanoic acid (PubChem CID 28764280) has the molecular formula C13H14FNO3 and a molecular weight of 251.26 g/mol. Its IUPAC name is 3-[N-(cyclopropanecarbonyl)-2-fluoroanilino]propanoic acid.

Molecular Properties

Compound Name3-[N-(cyclopropanecarbonyl)-2-fluoroanilino]propanoic acid
PubChem CID28764280
Molecular FormulaC13H14FNO3
Molecular Weight251.26 g/mol
Exact Mass251.10
IUPAC Name3-[N-(cyclopropanecarbonyl)-2-fluoroanilino]propanoic acid
SMILESO=C(O)CCN(C(=O)C1CC1)c1ccccc1F
InChIInChI=1S/C13H14FNO3/c14-10-3-1-2-4-11(10)15(8-7-12(16)17)13(18)9-5-6-9/h1-4,9H,5-8H2,(H,16,17)
InChIKeyWMYPIIGXRSMKBM-UHFFFAOYSA-N
XLogP2.04
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[N-(cyclobutanecarbonyl)-2-methylanilino]propanoic acid
CID 60831633
3-(N-(4-aminocyclohexanecarbonyl)anilino)propanoic acid
CID 61159722
3-[ethyl-(2-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550638
3-[2-fluoro-N-(pyridine-4-carbonyl)anilino]propanoic acid
CID 82321705
3-[5-chloro-N-(cyclopropanecarbonyl)-2-methoxyanilino]propanoic acid
CID 82321223
3-[2-amino-N-(oxolane-3-carbonyl)anilino]propanoic acid
CID 63118458
3-[N-(2-aminoethyl)-2-fluoroanilino]propanoic acid
CID 117013428
3-[2-carboxyethyl(cyclopropanecarbonyl)amino]benzoic acid
CID 82321208
3-[[ethyl-(2-fluorophenyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66030847
N-(2-fluorophenyl)-4-hydroxy-N-methylcyclohexane-1-carboxamide
CID 115150795
3-[N-(cyclohexanecarbonyl)-2,5-dimethylanilino]propanoic acid
CID 82321395
3-(N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)propanoic acid
CID 50890531

Frequently Asked Questions

What is the IUPAC name of 3-[N-(cyclopropanecarbonyl)-2-fluoroanilino]propanoic acid?
The IUPAC name of 3-[N-(cyclopropanecarbonyl)-2-fluoroanilino]propanoic acid (CID 28764280) is 3-[N-(cyclopropanecarbonyl)-2-fluoroanilino]propanoic acid.
What is the SMILES notation for 3-[N-(cyclopropanecarbonyl)-2-fluoroanilino]propanoic acid?
The canonical SMILES for 3-[N-(cyclopropanecarbonyl)-2-fluoroanilino]propanoic acid is O=C(O)CCN(C(=O)C1CC1)c1ccccc1F.
What is the InChIKey of 3-[N-(cyclopropanecarbonyl)-2-fluoroanilino]propanoic acid?
The InChIKey is WMYPIIGXRSMKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO3/c14-10-3-1-2-4-11(10)15(8-7-12(16)17)13(18)9-5-6-9/h1-4,9H,5-8H2,(H,16,17).
What are the key properties of 3-[N-(cyclopropanecarbonyl)-2-fluoroanilino]propanoic acid?
3-[N-(cyclopropanecarbonyl)-2-fluoroanilino]propanoic acid has a molecular weight of 251.26 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-(cyclopropanecarbonyl)-2-fluoroanilino]propanoic acid is sourced from PubChem (CID 28764280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).