4-[[2-(2-fluorophenyl)acetyl]-propan-2-ylamino]butanoic acid

C15H20FNO3 — CID 60830925

IUPAC4-[[2-(2-fluorophenyl)acetyl]-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)Cc1ccccc1F
InChIInChI=1S/C15H20FNO3/c1-11(2)17(9-5-8-15(19)20)14(18)10-12-6-3-4-7-13(12)16/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,19,20)
InChIKeyUMKSPQIJJBSRDT-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.47
Rot. Bonds7

About 4-[[2-(2-fluorophenyl)acetyl]-propan-2-ylamino]butanoic acid

4-[[2-(2-fluorophenyl)acetyl]-propan-2-ylamino]butanoic acid (PubChem CID 60830925) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 4-[[2-(2-fluorophenyl)acetyl]-propan-2-ylamino]butanoic acid.

Molecular Properties

Compound Name4-[[2-(2-fluorophenyl)acetyl]-propan-2-ylamino]butanoic acid
PubChem CID60830925
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name4-[[2-(2-fluorophenyl)acetyl]-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)Cc1ccccc1F
InChIInChI=1S/C15H20FNO3/c1-11(2)17(9-5-8-15(19)20)14(18)10-12-6-3-4-7-13(12)16/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,19,20)
InChIKeyUMKSPQIJJBSRDT-UHFFFAOYSA-N
XLogP2.47
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

N-(3-chloropropyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide
CID 55183329
4-[[2-(2-chlorophenyl)acetyl]-propan-2-ylamino]butanoic acid
CID 60825695
N-(2-chloroethyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide
CID 55185523
N-butan-2-yl-N-butyl-2-(2-fluorophenyl)acetamide
CID 78805640
3-[[2-(2,5-difluorophenyl)acetyl]-propan-2-ylamino]propanoic acid
CID 119207310
4-[3-(4-fluorophenyl)propanoyl-propan-2-ylamino]butanoic acid
CID 60825387
N-(3-chloropropyl)-2-(2-hydroxyphenyl)-N-propan-2-ylacetamide
CID 80740905
4-[(2-chloro-3-fluorophenyl)methyl-propan-2-ylamino]butanoic acid
CID 112652712
N-(2-amino-2-hydroxyiminoethyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide
CID 77044509
4-[[methyl(phenyl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61186680
5-[2-(2-fluorophenyl)ethyl-methylamino]-5-oxopentanoic acid
CID 94695505
3-[1-(2-fluorophenyl)propan-2-yl-propan-2-ylamino]propanoic acid
CID 114834684

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-fluorophenyl)acetyl]-propan-2-ylamino]butanoic acid?
The IUPAC name of 4-[[2-(2-fluorophenyl)acetyl]-propan-2-ylamino]butanoic acid (CID 60830925) is 4-[[2-(2-fluorophenyl)acetyl]-propan-2-ylamino]butanoic acid.
What is the SMILES notation for 4-[[2-(2-fluorophenyl)acetyl]-propan-2-ylamino]butanoic acid?
The canonical SMILES for 4-[[2-(2-fluorophenyl)acetyl]-propan-2-ylamino]butanoic acid is CC(C)N(CCCC(=O)O)C(=O)Cc1ccccc1F.
What is the InChIKey of 4-[[2-(2-fluorophenyl)acetyl]-propan-2-ylamino]butanoic acid?
The InChIKey is UMKSPQIJJBSRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-11(2)17(9-5-8-15(19)20)14(18)10-12-6-3-4-7-13(12)16/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,19,20).
What are the key properties of 4-[[2-(2-fluorophenyl)acetyl]-propan-2-ylamino]butanoic acid?
4-[[2-(2-fluorophenyl)acetyl]-propan-2-ylamino]butanoic acid has a molecular weight of 281.33 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-fluorophenyl)acetyl]-propan-2-ylamino]butanoic acid is sourced from PubChem (CID 60830925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).