4-[[1-(4-fluorophenyl)-1-hydroxy-3-methylbutan-2-yl]amino]butanoic acid

C15H22FNO3 — CID 82313224

IUPAC4-[[1-(4-fluorophenyl)-1-hydroxy-3-methylbutan-2-yl]amino]butanoic acid
SMILESCC(C)C(NCCCC(=O)O)C(O)c1ccc(F)cc1
InChIInChI=1S/C15H22FNO3/c1-10(2)14(17-9-3-4-13(18)19)15(20)11-5-7-12(16)8-6-11/h5-8,10,14-15,17,20H,3-4,9H2,1-2H3,(H,18,19)
InChIKeyRUZVTPIQSAXXRD-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.34
Rot. Bonds8

About 4-[[1-(4-fluorophenyl)-1-hydroxy-3-methylbutan-2-yl]amino]butanoic acid

4-[[1-(4-fluorophenyl)-1-hydroxy-3-methylbutan-2-yl]amino]butanoic acid (PubChem CID 82313224) has the molecular formula C15H22FNO3 and a molecular weight of 283.34 g/mol. Its IUPAC name is 4-[[1-(4-fluorophenyl)-1-hydroxy-3-methylbutan-2-yl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[1-(4-fluorophenyl)-1-hydroxy-3-methylbutan-2-yl]amino]butanoic acid
PubChem CID82313224
Molecular FormulaC15H22FNO3
Molecular Weight283.34 g/mol
Exact Mass283.16
IUPAC Name4-[[1-(4-fluorophenyl)-1-hydroxy-3-methylbutan-2-yl]amino]butanoic acid
SMILESCC(C)C(NCCCC(=O)O)C(O)c1ccc(F)cc1
InChIInChI=1S/C15H22FNO3/c1-10(2)14(17-9-3-4-13(18)19)15(20)11-5-7-12(16)8-6-11/h5-8,10,14-15,17,20H,3-4,9H2,1-2H3,(H,18,19)
InChIKeyRUZVTPIQSAXXRD-UHFFFAOYSA-N
XLogP2.34
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(1-hydroxy-3-methyl-1-phenylbutan-2-yl)amino]butanoic acid
CID 82312226
3-[1-(4-fluorophenyl)ethylamino]propanoic acid
CID 43087255
5-[1-(4-fluorophenyl)ethylamino]-5-oxopentanoic acid
CID 60662109
6-[1-(4-fluorophenyl)ethylamino]-6-oxohexanoic acid
CID 54867660
4-[[(1R)-1-(3-fluorophenyl)ethyl]amino]butanoic acid
CID 81365721
2-[[1-(4-fluorophenyl)-1-hydroxy-3-methylbutan-2-yl]amino]butanoic acid
CID 82313228
4-[[(3R)-3-(4-fluorophenyl)butanoyl]amino]butanoic acid
CID 99849251
3-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-methylamino]propanoic acid
CID 82313139
4-[[(1S)-1-phenylethyl]amino]butanoic acid
CID 63866910
5-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-5-oxopentanoic acid
CID 60708185
4-[2-(4-fluorophenyl)butanoylamino]butanoic acid
CID 120513410
4-[[cyclobutyl-(4-fluorophenyl)methyl]amino]butanoic acid
CID 119958670

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-fluorophenyl)-1-hydroxy-3-methylbutan-2-yl]amino]butanoic acid?
The IUPAC name of 4-[[1-(4-fluorophenyl)-1-hydroxy-3-methylbutan-2-yl]amino]butanoic acid (CID 82313224) is 4-[[1-(4-fluorophenyl)-1-hydroxy-3-methylbutan-2-yl]amino]butanoic acid.
What is the SMILES notation for 4-[[1-(4-fluorophenyl)-1-hydroxy-3-methylbutan-2-yl]amino]butanoic acid?
The canonical SMILES for 4-[[1-(4-fluorophenyl)-1-hydroxy-3-methylbutan-2-yl]amino]butanoic acid is CC(C)C(NCCCC(=O)O)C(O)c1ccc(F)cc1.
What is the InChIKey of 4-[[1-(4-fluorophenyl)-1-hydroxy-3-methylbutan-2-yl]amino]butanoic acid?
The InChIKey is RUZVTPIQSAXXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO3/c1-10(2)14(17-9-3-4-13(18)19)15(20)11-5-7-12(16)8-6-11/h5-8,10,14-15,17,20H,3-4,9H2,1-2H3,(H,18,19).
What are the key properties of 4-[[1-(4-fluorophenyl)-1-hydroxy-3-methylbutan-2-yl]amino]butanoic acid?
4-[[1-(4-fluorophenyl)-1-hydroxy-3-methylbutan-2-yl]amino]butanoic acid has a molecular weight of 283.34 g/mol, XLogP of 2.34, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-fluorophenyl)-1-hydroxy-3-methylbutan-2-yl]amino]butanoic acid is sourced from PubChem (CID 82313224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).