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

C16H22FNO3 — CID 65284126

IUPAC6-[[2-(3-fluorophenyl)acetyl]amino]-4,4-dimethylhexanoic acid
SMILESCC(C)(CCNC(=O)Cc1cccc(F)c1)CCC(=O)O
InChIInChI=1S/C16H22FNO3/c1-16(2,7-6-15(20)21)8-9-18-14(19)11-12-4-3-5-13(17)10-12/h3-5,10H,6-9,11H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyMYKCQYBZOMAOEI-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.77
Rot. Bonds8

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

6-[[2-(3-fluorophenyl)acetyl]amino]-4,4-dimethylhexanoic acid (PubChem CID 65284126) has the molecular formula C16H22FNO3 and a molecular weight of 295.35 g/mol. Its IUPAC name is 6-[[2-(3-fluorophenyl)acetyl]amino]-4,4-dimethylhexanoic acid.

Molecular Properties

Compound Name6-[[2-(3-fluorophenyl)acetyl]amino]-4,4-dimethylhexanoic acid
PubChem CID65284126
Molecular FormulaC16H22FNO3
Molecular Weight295.35 g/mol
Exact Mass295.16
IUPAC Name6-[[2-(3-fluorophenyl)acetyl]amino]-4,4-dimethylhexanoic acid
SMILESCC(C)(CCNC(=O)Cc1cccc(F)c1)CCC(=O)O
InChIInChI=1S/C16H22FNO3/c1-16(2,7-6-15(20)21)8-9-18-14(19)11-12-4-3-5-13(17)10-12/h3-5,10H,6-9,11H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyMYKCQYBZOMAOEI-UHFFFAOYSA-N
XLogP2.77
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2-(3-fluorophenyl)acetyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66002331
2-(3-fluorophenyl)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
CID 103899330
6-[(3-chloro-2-fluorobenzoyl)amino]-4,4-dimethylhexanoic acid
CID 81266022
N-(3-aminopropyl)-2-(3-fluorophenyl)acetamide
CID 24690236
2-[[2-(3-fluorophenyl)acetyl]amino]ethyl acetate
CID 151755820
N-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]-2-hydroxy-2-phenylacetamide
CID 111432590
2-(3-fluorophenyl)-N-[2-[2-(methylamino)ethylamino]-2-oxoethyl]acetamide;hydrochloride
CID 119501890
2-(3-fluorophenyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide
CID 103712162
(2S)-2-[2-[[2-(3-fluorophenyl)acetyl]amino]ethylamino]-2-phenylacetamide
CID 94812771
4-[(3-fluorophenyl)methylamino]-4-oxobutanoic acid
CID 43529773
N-[2-(diaminomethylideneamino)ethyl]-2-(3-fluorophenyl)acetamide
CID 119112923
N-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 119506773

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(3-fluorophenyl)acetyl]amino]-4,4-dimethylhexanoic acid?
The IUPAC name of 6-[[2-(3-fluorophenyl)acetyl]amino]-4,4-dimethylhexanoic acid (CID 65284126) is 6-[[2-(3-fluorophenyl)acetyl]amino]-4,4-dimethylhexanoic acid.
What is the SMILES notation for 6-[[2-(3-fluorophenyl)acetyl]amino]-4,4-dimethylhexanoic acid?
The canonical SMILES for 6-[[2-(3-fluorophenyl)acetyl]amino]-4,4-dimethylhexanoic acid is CC(C)(CCNC(=O)Cc1cccc(F)c1)CCC(=O)O.
What is the InChIKey of 6-[[2-(3-fluorophenyl)acetyl]amino]-4,4-dimethylhexanoic acid?
The InChIKey is MYKCQYBZOMAOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO3/c1-16(2,7-6-15(20)21)8-9-18-14(19)11-12-4-3-5-13(17)10-12/h3-5,10H,6-9,11H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 6-[[2-(3-fluorophenyl)acetyl]amino]-4,4-dimethylhexanoic acid?
6-[[2-(3-fluorophenyl)acetyl]amino]-4,4-dimethylhexanoic acid has a molecular weight of 295.35 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(3-fluorophenyl)acetyl]amino]-4,4-dimethylhexanoic acid is sourced from PubChem (CID 65284126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).