3-(4-fluorophenyl)-3-(methylamino)butanoic acid

C11H14FNO2 — CID 65236553

IUPAC3-(4-fluorophenyl)-3-(methylamino)butanoic acid
SMILESCNC(C)(CC(=O)O)c1ccc(F)cc1
InChIInChI=1S/C11H14FNO2/c1-11(13-2,7-10(14)15)8-3-5-9(12)6-4-8/h3-6,13H,7H2,1-2H3,(H,14,15)
InChIKeyJJJBWIXDPGBFEV-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.74
Rot. Bonds4

About 3-(4-fluorophenyl)-3-(methylamino)butanoic acid

3-(4-fluorophenyl)-3-(methylamino)butanoic acid (PubChem CID 65236553) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-(methylamino)butanoic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-(methylamino)butanoic acid
PubChem CID65236553
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name3-(4-fluorophenyl)-3-(methylamino)butanoic acid
SMILESCNC(C)(CC(=O)O)c1ccc(F)cc1
InChIInChI=1S/C11H14FNO2/c1-11(13-2,7-10(14)15)8-3-5-9(12)6-4-8/h3-6,13H,7H2,1-2H3,(H,14,15)
InChIKeyJJJBWIXDPGBFEV-UHFFFAOYSA-N
XLogP1.74
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 3-(4-fluorophenyl)-3-(methylamino)butanoate
CID 65236908
3-(4-fluorophenyl)-3-(methylamino)butan-1-ol
CID 65234691
3-(methylamino)-3-naphthalen-2-ylbutanoic acid
CID 65236663
3-[(4-fluorobenzoyl)amino]-3-methylbutanoic acid
CID 64670730
3-(ethylamino)-3-[4-(trifluoromethyl)phenyl]butanoic acid
CID 65234264
2-(4-fluorophenyl)-2-hydroxybutanedioic acid
CID 150762531
3-(4-fluorophenyl)-3-hydroxy-4-methylpentanoic acid
CID 52983755
4-[(4-fluorobenzoyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 66000907
3-(ethylamino)-3-(4-methylphenyl)butanoic acid
CID 65236813
3-(methylamino)-3-[4-(2-methylpropyl)phenyl]butanamide
CID 65236691
3-[[2-(4-fluorophenyl)-2-methylpropanoyl]amino]propanoic acid
CID 119177515
3-(ethylamino)-3-(4-phenylphenyl)butanoic acid
CID 65233928

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3-(methylamino)butanoic acid?
The IUPAC name of 3-(4-fluorophenyl)-3-(methylamino)butanoic acid (CID 65236553) is 3-(4-fluorophenyl)-3-(methylamino)butanoic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-3-(methylamino)butanoic acid?
The canonical SMILES for 3-(4-fluorophenyl)-3-(methylamino)butanoic acid is CNC(C)(CC(=O)O)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-3-(methylamino)butanoic acid?
The InChIKey is JJJBWIXDPGBFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-11(13-2,7-10(14)15)8-3-5-9(12)6-4-8/h3-6,13H,7H2,1-2H3,(H,14,15).
What are the key properties of 3-(4-fluorophenyl)-3-(methylamino)butanoic acid?
3-(4-fluorophenyl)-3-(methylamino)butanoic acid has a molecular weight of 211.24 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-3-(methylamino)butanoic acid is sourced from PubChem (CID 65236553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).