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

C15H22FNO2 — CID 115250146

IUPAC2-[[[2-(4-fluorophenyl)-2-methylpropyl]amino]methyl]butanoic acid
SMILESCCC(CNCC(C)(C)c1ccc(F)cc1)C(=O)O
InChIInChI=1S/C15H22FNO2/c1-4-11(14(18)19)9-17-10-15(2,3)12-5-7-13(16)8-6-12/h5-8,11,17H,4,9-10H2,1-3H3,(H,18,19)
InChIKeySFTFSPGPJRFGNK-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.80
Rot. Bonds7

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

2-[[[2-(4-fluorophenyl)-2-methylpropyl]amino]methyl]butanoic acid (PubChem CID 115250146) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 2-[[[2-(4-fluorophenyl)-2-methylpropyl]amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[[2-(4-fluorophenyl)-2-methylpropyl]amino]methyl]butanoic acid
PubChem CID115250146
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name2-[[[2-(4-fluorophenyl)-2-methylpropyl]amino]methyl]butanoic acid
SMILESCCC(CNCC(C)(C)c1ccc(F)cc1)C(=O)O
InChIInChI=1S/C15H22FNO2/c1-4-11(14(18)19)9-17-10-15(2,3)12-5-7-13(16)8-6-12/h5-8,11,17H,4,9-10H2,1-3H3,(H,18,19)
InChIKeySFTFSPGPJRFGNK-UHFFFAOYSA-N
XLogP2.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)butanamide
CID 115186785
2-[[(2-methyl-2-thiophen-2-ylpropyl)amino]methyl]butanoic acid
CID 115250143
3-[[2-(4-chlorophenyl)-2-methylpropyl]amino]-2-methylpropanoic acid
CID 115219650
2-[[3-(4-fluorophenyl)prop-2-enoylamino]methyl]butanoic acid
CID 77061171
2-ethyl-3-(4-fluorophenyl)-3-hydroxybutanoic acid
CID 62398213
2-(methylamino)-3-[[2-methyl-2-(4-methylphenyl)propyl]amino]propanoic acid
CID 115256315
2-[[[(4-fluorophenyl)-methylcarbamoyl]amino]methyl]butanoic acid
CID 65221688
3-[[2-(3-fluorophenyl)-2-methylpropyl]amino]-2-(methylamino)propanoic acid
CID 115256325
2-[[(4-fluoro-3-methylphenyl)methylamino]methyl]butanoic acid
CID 115249888
2-acetamido-3-[(2-methyl-2-phenylpropyl)amino]propanoic acid
CID 64582261
1-(4-fluorophenyl)-2-(methylaminomethyl)butan-1-one
CID 116923852
2-[2-(4-fluorophenyl)butan-2-yl]propanedioic acid
CID 139635434

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(4-fluorophenyl)-2-methylpropyl]amino]methyl]butanoic acid?
The IUPAC name of 2-[[[2-(4-fluorophenyl)-2-methylpropyl]amino]methyl]butanoic acid (CID 115250146) is 2-[[[2-(4-fluorophenyl)-2-methylpropyl]amino]methyl]butanoic acid.
What is the SMILES notation for 2-[[[2-(4-fluorophenyl)-2-methylpropyl]amino]methyl]butanoic acid?
The canonical SMILES for 2-[[[2-(4-fluorophenyl)-2-methylpropyl]amino]methyl]butanoic acid is CCC(CNCC(C)(C)c1ccc(F)cc1)C(=O)O.
What is the InChIKey of 2-[[[2-(4-fluorophenyl)-2-methylpropyl]amino]methyl]butanoic acid?
The InChIKey is SFTFSPGPJRFGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-4-11(14(18)19)9-17-10-15(2,3)12-5-7-13(16)8-6-12/h5-8,11,17H,4,9-10H2,1-3H3,(H,18,19).
What are the key properties of 2-[[[2-(4-fluorophenyl)-2-methylpropyl]amino]methyl]butanoic acid?
2-[[[2-(4-fluorophenyl)-2-methylpropyl]amino]methyl]butanoic acid has a molecular weight of 267.34 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(4-fluorophenyl)-2-methylpropyl]amino]methyl]butanoic acid is sourced from PubChem (CID 115250146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).