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

C14H18FNO3 — CID 120513410

IUPAC4-[2-(4-fluorophenyl)butanoylamino]butanoic acid
SMILESCCC(C(=O)NCCCC(=O)O)c1ccc(F)cc1
InChIInChI=1S/C14H18FNO3/c1-2-12(10-5-7-11(15)8-6-10)14(19)16-9-3-4-13(17)18/h5-8,12H,2-4,9H2,1H3,(H,16,19)(H,17,18)
InChIKeyDGYPRXFJJCIOQA-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.30
Rot. Bonds7

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

4-[2-(4-fluorophenyl)butanoylamino]butanoic acid (PubChem CID 120513410) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)butanoylamino]butanoic acid.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)butanoylamino]butanoic acid
PubChem CID120513410
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name4-[2-(4-fluorophenyl)butanoylamino]butanoic acid
SMILESCCC(C(=O)NCCCC(=O)O)c1ccc(F)cc1
InChIInChI=1S/C14H18FNO3/c1-2-12(10-5-7-11(15)8-6-10)14(19)16-9-3-4-13(17)18/h5-8,12H,2-4,9H2,1H3,(H,16,19)(H,17,18)
InChIKeyDGYPRXFJJCIOQA-UHFFFAOYSA-N
XLogP2.30
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[2-(4-methoxyphenyl)butanoylamino]hexanoic acid
CID 120686933
5-(ethylamino)-4-(4-fluorophenyl)-5-oxopentanoic acid
CID 112516346
2-[2-(4-fluorophenyl)butanoylamino]propanoic acid
CID 120523636
3-[2-(4-fluorophenyl)butanoylamino]-2-phenylpropanoic acid
CID 120528828
4-[[(3R)-3-(4-fluorophenyl)butanoyl]amino]butanoic acid
CID 99849251
2-[2-(4-fluorophenyl)butanoylamino]butanoic acid
CID 120523263
7-[3-(4-fluorophenyl)butanoylamino]heptanoic acid
CID 119227583
N-[3-(4-fluorophenyl)prop-2-ynyl]-2-phenylbutanamide
CID 90548192
2-(4-fluorophenyl)-N-[(1-hydroxycyclopentyl)methyl]butanamide
CID 110427438
(2S)-2-phenyl-N-(3-phenylpropyl)butanamide
CID 2300118
2-[4-[[2-(4-fluorophenyl)butanoylamino]methyl]oxan-4-yl]acetic acid
CID 166245308
4-[[1-(4-fluorophenyl)-1-methoxypropan-2-yl]carbamoylamino]butanoic acid
CID 122008717

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)butanoylamino]butanoic acid?
The IUPAC name of 4-[2-(4-fluorophenyl)butanoylamino]butanoic acid (CID 120513410) is 4-[2-(4-fluorophenyl)butanoylamino]butanoic acid.
What is the SMILES notation for 4-[2-(4-fluorophenyl)butanoylamino]butanoic acid?
The canonical SMILES for 4-[2-(4-fluorophenyl)butanoylamino]butanoic acid is CCC(C(=O)NCCCC(=O)O)c1ccc(F)cc1.
What is the InChIKey of 4-[2-(4-fluorophenyl)butanoylamino]butanoic acid?
The InChIKey is DGYPRXFJJCIOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-2-12(10-5-7-11(15)8-6-10)14(19)16-9-3-4-13(17)18/h5-8,12H,2-4,9H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 4-[2-(4-fluorophenyl)butanoylamino]butanoic acid?
4-[2-(4-fluorophenyl)butanoylamino]butanoic acid has a molecular weight of 267.30 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)butanoylamino]butanoic acid is sourced from PubChem (CID 120513410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).