2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]butanoic acid

C14H20FNO2 — CID 113292395

IUPAC2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]butanoic acid
SMILESCCC(NC(c1ccc(F)cc1)C(C)C)C(=O)O
InChIInChI=1S/C14H20FNO2/c1-4-12(14(17)18)16-13(9(2)3)10-5-7-11(15)8-6-10/h5-9,12-13,16H,4H2,1-3H3,(H,17,18)
InChIKeyOVZYLJRIRAEWQP-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.98
Rot. Bonds6

About 2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]butanoic acid

2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]butanoic acid (PubChem CID 113292395) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]butanoic acid
PubChem CID113292395
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]butanoic acid
SMILESCCC(NC(c1ccc(F)cc1)C(C)C)C(=O)O
InChIInChI=1S/C14H20FNO2/c1-4-12(14(17)18)16-13(9(2)3)10-5-7-11(15)8-6-10/h5-9,12-13,16H,4H2,1-3H3,(H,17,18)
InChIKeyOVZYLJRIRAEWQP-UHFFFAOYSA-N
XLogP2.98
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-methyl-1-phenylpropyl)amino]butanoic acid
CID 113292394
2-[[1-(4-fluorophenyl)-1-hydroxy-3-methylbutan-2-yl]amino]butanoic acid
CID 82313228
2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]propanoic acid
CID 66171694
N-[1-(4-fluorophenyl)-2-methylpropyl]propanamide
CID 60666381
(2S)-2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide
CID 79024949
3-(ethylamino)-N-[1-(4-fluorophenyl)-2-methylpropyl]-2-methylpropanamide
CID 62851825
2-[2-(4-fluorophenyl)butanoylamino]butanoic acid
CID 120523263
5-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-5-oxopentanoic acid
CID 60708185
3-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide
CID 54924560
N-[1-(4-fluorophenyl)-2-methylpropyl]-3-phenylbutanamide
CID 46828416
N-[2-(ethylamino)-2-oxoethyl]-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9134101
N-[1-(4-fluorophenyl)-2-methylpropyl]-2-methoxypropanamide
CID 112685671

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]butanoic acid?
The IUPAC name of 2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]butanoic acid (CID 113292395) is 2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]butanoic acid.
What is the SMILES notation for 2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]butanoic acid?
The canonical SMILES for 2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]butanoic acid is CCC(NC(c1ccc(F)cc1)C(C)C)C(=O)O.
What is the InChIKey of 2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]butanoic acid?
The InChIKey is OVZYLJRIRAEWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-4-12(14(17)18)16-13(9(2)3)10-5-7-11(15)8-6-10/h5-9,12-13,16H,4H2,1-3H3,(H,17,18).
What are the key properties of 2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]butanoic acid?
2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]butanoic acid has a molecular weight of 253.32 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]butanoic acid is sourced from PubChem (CID 113292395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).