2-[2-(4-fluorophenyl)butanoylamino]butanoic acid

C14H18FNO3 — CID 120523263

IUPAC2-[2-(4-fluorophenyl)butanoylamino]butanoic acid
SMILESCCC(NC(=O)C(CC)c1ccc(F)cc1)C(=O)O
InChIInChI=1S/C14H18FNO3/c1-3-11(9-5-7-10(15)8-6-9)13(17)16-12(4-2)14(18)19/h5-8,11-12H,3-4H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyWNJBBZNNXWIZGU-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.30
Rot. Bonds6

About 2-[2-(4-fluorophenyl)butanoylamino]butanoic acid

2-[2-(4-fluorophenyl)butanoylamino]butanoic acid (PubChem CID 120523263) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)butanoylamino]butanoic acid.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)butanoylamino]butanoic acid
PubChem CID120523263
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name2-[2-(4-fluorophenyl)butanoylamino]butanoic acid
SMILESCCC(NC(=O)C(CC)c1ccc(F)cc1)C(=O)O
InChIInChI=1S/C14H18FNO3/c1-3-11(9-5-7-10(15)8-6-9)13(17)16-12(4-2)14(18)19/h5-8,11-12H,3-4H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyWNJBBZNNXWIZGU-UHFFFAOYSA-N
XLogP2.30
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-2-[2-(4-fluorophenyl)butanoylamino]hex-4-enoic acid
CID 120692963
2-[2-(4-fluorophenyl)butanoylamino]propanoic acid
CID 120523636
3-[2-(4-fluorophenyl)butanoylamino]-2-phenylpropanoic acid
CID 120528828
(2S)-4-hydroxy-2-(2-phenylbutanoylamino)butanoic acid
CID 67038648
4-[2-(4-fluorophenyl)butanoylamino]butanoic acid
CID 120513410
3-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)butanoylamino]propanoic acid
CID 120684395
2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]butanoic acid
CID 113292395
(2S)-2-[(2,2-difluoroacetyl)amino]butanoic acid
CID 103513419
(2S)-4-methoxy-4-oxo-2-(2-phenylbutanoylamino)butanoic acid
CID 63307236
4-methoxy-2-(2-phenylbutanoylamino)butanoic acid
CID 62478750
2-(4-fluorophenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]butanamide
CID 110353983
(2S)-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-2-phenylbutanamide
CID 129358899

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)butanoylamino]butanoic acid?
The IUPAC name of 2-[2-(4-fluorophenyl)butanoylamino]butanoic acid (CID 120523263) is 2-[2-(4-fluorophenyl)butanoylamino]butanoic acid.
What is the SMILES notation for 2-[2-(4-fluorophenyl)butanoylamino]butanoic acid?
The canonical SMILES for 2-[2-(4-fluorophenyl)butanoylamino]butanoic acid is CCC(NC(=O)C(CC)c1ccc(F)cc1)C(=O)O.
What is the InChIKey of 2-[2-(4-fluorophenyl)butanoylamino]butanoic acid?
The InChIKey is WNJBBZNNXWIZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-3-11(9-5-7-10(15)8-6-9)13(17)16-12(4-2)14(18)19/h5-8,11-12H,3-4H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[2-(4-fluorophenyl)butanoylamino]butanoic acid?
2-[2-(4-fluorophenyl)butanoylamino]butanoic acid has a molecular weight of 267.30 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)butanoylamino]butanoic acid is sourced from PubChem (CID 120523263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).