5-amino-5-(4-fluorophenyl)-3-methylpentanoic acid

C12H16FNO2 — CID 62935345

IUPAC5-amino-5-(4-fluorophenyl)-3-methylpentanoic acid
SMILESCC(CC(=O)O)CC(N)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO2/c1-8(7-12(15)16)6-11(14)9-2-4-10(13)5-3-9/h2-5,8,11H,6-7,14H2,1H3,(H,15,16)
InChIKeyVGPRLASTQUVMRT-UHFFFAOYSA-N
MW225.26 g/mol
LogP2.33
Rot. Bonds5

About 5-amino-5-(4-fluorophenyl)-3-methylpentanoic acid

5-amino-5-(4-fluorophenyl)-3-methylpentanoic acid (PubChem CID 62935345) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 5-amino-5-(4-fluorophenyl)-3-methylpentanoic acid.

Molecular Properties

Compound Name5-amino-5-(4-fluorophenyl)-3-methylpentanoic acid
PubChem CID62935345
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name5-amino-5-(4-fluorophenyl)-3-methylpentanoic acid
SMILESCC(CC(=O)O)CC(N)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO2/c1-8(7-12(15)16)6-11(14)9-2-4-10(13)5-3-9/h2-5,8,11H,6-7,14H2,1H3,(H,15,16)
InChIKeyVGPRLASTQUVMRT-UHFFFAOYSA-N
XLogP2.33
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-5-(3,4-dimethylphenyl)-3-methylpentanoic acid
CID 62941465
5-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-3-methyl-5-oxopentanoic acid
CID 81351821
5-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-methyl-5-oxopentanoic acid
CID 81351309
5-amino-3-methyl-5-(4-methylphenyl)pentanamide
CID 62934157
(3S)-3-amino-3-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]propanamide
CID 122368235
ethyl (3S)-3-amino-3-(4-fluorophenyl)propanoate
CID 723060
(3R)-3-(4-fluorophenyl)-3-hydroxypropanoic acid
CID 89304540
5-amino-3-methyl-5-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)pentanoic acid
CID 62942189
3-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide
CID 54924560
(3S)-3-amino-3-[4-(difluoromethyl)phenyl]propanoic acid
CID 79016031
3-(4-fluorophenyl)-3-(3-methylhexanoylamino)propanoic acid
CID 119169664
5-(4-fluoroanilino)-3-methyl-5-oxopentanoic acid
CID 2732332

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-(4-fluorophenyl)-3-methylpentanoic acid?
The IUPAC name of 5-amino-5-(4-fluorophenyl)-3-methylpentanoic acid (CID 62935345) is 5-amino-5-(4-fluorophenyl)-3-methylpentanoic acid.
What is the SMILES notation for 5-amino-5-(4-fluorophenyl)-3-methylpentanoic acid?
The canonical SMILES for 5-amino-5-(4-fluorophenyl)-3-methylpentanoic acid is CC(CC(=O)O)CC(N)c1ccc(F)cc1.
What is the InChIKey of 5-amino-5-(4-fluorophenyl)-3-methylpentanoic acid?
The InChIKey is VGPRLASTQUVMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-8(7-12(15)16)6-11(14)9-2-4-10(13)5-3-9/h2-5,8,11H,6-7,14H2,1H3,(H,15,16).
What are the key properties of 5-amino-5-(4-fluorophenyl)-3-methylpentanoic acid?
5-amino-5-(4-fluorophenyl)-3-methylpentanoic acid has a molecular weight of 225.26 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-(4-fluorophenyl)-3-methylpentanoic acid is sourced from PubChem (CID 62935345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).