2-amino-6-(3-fluorophenyl)-2,4-dimethylhexanoic acid

C14H20FNO2 — CID 151774149

IUPAC2-amino-6-(3-fluorophenyl)-2,4-dimethylhexanoic acid
SMILESCC(CCc1cccc(F)c1)CC(C)(N)C(=O)O
InChIInChI=1S/C14H20FNO2/c1-10(9-14(2,16)13(17)18)6-7-11-4-3-5-12(15)8-11/h3-5,8,10H,6-7,9,16H2,1-2H3,(H,17,18)
InChIKeyRTFNTWNPTQGPNL-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.59
Rot. Bonds6

About 2-amino-6-(3-fluorophenyl)-2,4-dimethylhexanoic acid

2-amino-6-(3-fluorophenyl)-2,4-dimethylhexanoic acid (PubChem CID 151774149) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-amino-6-(3-fluorophenyl)-2,4-dimethylhexanoic acid.

Molecular Properties

Compound Name2-amino-6-(3-fluorophenyl)-2,4-dimethylhexanoic acid
PubChem CID151774149
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name2-amino-6-(3-fluorophenyl)-2,4-dimethylhexanoic acid
SMILESCC(CCc1cccc(F)c1)CC(C)(N)C(=O)O
InChIInChI=1S/C14H20FNO2/c1-10(9-14(2,16)13(17)18)6-7-11-4-3-5-12(15)8-11/h3-5,8,10H,6-7,9,16H2,1-2H3,(H,17,18)
InChIKeyRTFNTWNPTQGPNL-UHFFFAOYSA-N
XLogP2.59
TPSA63.32 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 ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2,4-dimethyl-6-[2-(trifluoromethyl)phenyl]hexanoic acid
CID 151744228
2-amino-7-(3-chlorophenyl)-2,5-dimethylheptanoic acid
CID 150170631
(3S,5R)-3-(aminomethyl)-7-(3-fluorophenyl)-5-methylheptanoic acid
CID 53241288
N-tert-butyl-4-(3-fluorophenyl)-2-methylbutan-1-amine
CID 64663958
(2R)-4-(3-fluorophenyl)butan-2-amine
CID 22831507
2-fluoro-4-(3-fluorophenyl)-2-methylbutanoic acid
CID 83855515
2-[[(2S)-4-(3-fluorophenyl)butan-2-yl]amino]-2-oxoacetic acid
CID 99784116
methyl 2-amino-5-(3-fluorophenyl)pentanoate
CID 116851642
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(3-fluorophenyl)-2-methylbutanamide
CID 119605825
(2S)-2-amino-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 61145838
2-[(2-amino-2-methylpropanoyl)amino]-5-(3-fluorophenyl)pentanoic acid
CID 155171209
4-(3-fluorophenyl)-2-methyl-N-propylbutan-1-amine
CID 64666671

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(3-fluorophenyl)-2,4-dimethylhexanoic acid?
The IUPAC name of 2-amino-6-(3-fluorophenyl)-2,4-dimethylhexanoic acid (CID 151774149) is 2-amino-6-(3-fluorophenyl)-2,4-dimethylhexanoic acid.
What is the SMILES notation for 2-amino-6-(3-fluorophenyl)-2,4-dimethylhexanoic acid?
The canonical SMILES for 2-amino-6-(3-fluorophenyl)-2,4-dimethylhexanoic acid is CC(CCc1cccc(F)c1)CC(C)(N)C(=O)O.
What is the InChIKey of 2-amino-6-(3-fluorophenyl)-2,4-dimethylhexanoic acid?
The InChIKey is RTFNTWNPTQGPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-10(9-14(2,16)13(17)18)6-7-11-4-3-5-12(15)8-11/h3-5,8,10H,6-7,9,16H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-6-(3-fluorophenyl)-2,4-dimethylhexanoic acid?
2-amino-6-(3-fluorophenyl)-2,4-dimethylhexanoic acid has a molecular weight of 253.32 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(3-fluorophenyl)-2,4-dimethylhexanoic acid is sourced from PubChem (CID 151774149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).