3-[butyl-[2-(4-fluorophenyl)acetyl]amino]propanoic acid

C15H20FNO3 — CID 82325163

IUPAC3-[butyl-[2-(4-fluorophenyl)acetyl]amino]propanoic acid
SMILESCCCCN(CCC(=O)O)C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C15H20FNO3/c1-2-3-9-17(10-8-15(19)20)14(18)11-12-4-6-13(16)7-5-12/h4-7H,2-3,8-11H2,1H3,(H,19,20)
InChIKeyGXLHXHOLNISMEQ-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.47
Rot. Bonds8

About 3-[butyl-[2-(4-fluorophenyl)acetyl]amino]propanoic acid

3-[butyl-[2-(4-fluorophenyl)acetyl]amino]propanoic acid (PubChem CID 82325163) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 3-[butyl-[2-(4-fluorophenyl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[butyl-[2-(4-fluorophenyl)acetyl]amino]propanoic acid
PubChem CID82325163
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name3-[butyl-[2-(4-fluorophenyl)acetyl]amino]propanoic acid
SMILESCCCCN(CCC(=O)O)C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C15H20FNO3/c1-2-3-9-17(10-8-15(19)20)14(18)11-12-4-6-13(16)7-5-12/h4-7H,2-3,8-11H2,1H3,(H,19,20)
InChIKeyGXLHXHOLNISMEQ-UHFFFAOYSA-N
XLogP2.47
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-carboxyethyl-[2-(4-fluorophenyl)acetyl]amino]propanoic acid
CID 82325169
3-[pentyl-(2-phenylacetyl)amino]propanoic acid
CID 82325109
N,N-dibutyl-3-(4-fluorophenyl)propanamide
CID 46906422
3-[butyl-[(4-fluorophenyl)methyl]amino]propanoic acid
CID 82328171
2-(4-aminophenyl)-N,N-dibutylacetamide
CID 28982323
4-(4-fluorophenyl)-N,N-dipropylbutanamide
CID 110297678
N-butyl-N-(2-hydroxyethyl)-2-(4-sulfanylphenyl)acetamide
CID 107024746
3-[2-(dimethylamino)ethyl-(2-phenylacetyl)amino]propanoic acid
CID 82325130
N-butyl-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 78866721
3-[4-(4-methylphenyl)butanoyl-propylamino]propanoic acid
CID 82326079
3-[ethyl-(4-fluorobenzoyl)amino]propanoic acid
CID 61006685
3-[hexyl-(2-thiophen-2-ylacetyl)amino]propanoic acid
CID 82325058

Frequently Asked Questions

What is the IUPAC name of 3-[butyl-[2-(4-fluorophenyl)acetyl]amino]propanoic acid?
The IUPAC name of 3-[butyl-[2-(4-fluorophenyl)acetyl]amino]propanoic acid (CID 82325163) is 3-[butyl-[2-(4-fluorophenyl)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[butyl-[2-(4-fluorophenyl)acetyl]amino]propanoic acid?
The canonical SMILES for 3-[butyl-[2-(4-fluorophenyl)acetyl]amino]propanoic acid is CCCCN(CCC(=O)O)C(=O)Cc1ccc(F)cc1.
What is the InChIKey of 3-[butyl-[2-(4-fluorophenyl)acetyl]amino]propanoic acid?
The InChIKey is GXLHXHOLNISMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-2-3-9-17(10-8-15(19)20)14(18)11-12-4-6-13(16)7-5-12/h4-7H,2-3,8-11H2,1H3,(H,19,20).
What are the key properties of 3-[butyl-[2-(4-fluorophenyl)acetyl]amino]propanoic acid?
3-[butyl-[2-(4-fluorophenyl)acetyl]amino]propanoic acid has a molecular weight of 281.33 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl-[2-(4-fluorophenyl)acetyl]amino]propanoic acid is sourced from PubChem (CID 82325163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).