2-[[2-(3-fluorophenoxy)acetyl]amino]-3,3-dimethylbutanoic acid

C14H18FNO4 — CID 43467655

IUPAC2-[[2-(3-fluorophenoxy)acetyl]amino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(NC(=O)COc1cccc(F)c1)C(=O)O
InChIInChI=1S/C14H18FNO4/c1-14(2,3)12(13(18)19)16-11(17)8-20-10-6-4-5-9(15)7-10/h4-7,12H,8H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyGZOBKBDSTGVAHM-UHFFFAOYSA-N
MW283.30 g/mol
LogP1.82
Rot. Bonds5

About 2-[[2-(3-fluorophenoxy)acetyl]amino]-3,3-dimethylbutanoic acid

2-[[2-(3-fluorophenoxy)acetyl]amino]-3,3-dimethylbutanoic acid (PubChem CID 43467655) has the molecular formula C14H18FNO4 and a molecular weight of 283.30 g/mol. Its IUPAC name is 2-[[2-(3-fluorophenoxy)acetyl]amino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-[[2-(3-fluorophenoxy)acetyl]amino]-3,3-dimethylbutanoic acid
PubChem CID43467655
Molecular FormulaC14H18FNO4
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC Name2-[[2-(3-fluorophenoxy)acetyl]amino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(NC(=O)COc1cccc(F)c1)C(=O)O
InChIInChI=1S/C14H18FNO4/c1-14(2,3)12(13(18)19)16-11(17)8-20-10-6-4-5-9(15)7-10/h4-7,12H,8H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyGZOBKBDSTGVAHM-UHFFFAOYSA-N
XLogP1.82
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(3-fluorophenoxy)propanoylamino]-3,3-dimethylbutanoic acid
CID 43467510
(2R)-2-[[2-(3-bromophenoxy)acetyl]amino]-3,3-dimethylbutanoic acid
CID 103926914
2-(3-fluorophenoxy)-N-propan-2-ylacetamide
CID 60626005
(2R)-2-[[2-(3-fluorophenoxy)acetyl]amino]pentanoic acid
CID 107563444
2-(3-fluorophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79252060
(2S)-2-[[2-(3-fluorophenoxy)acetyl]amino]-4-hydroxybutanoic acid
CID 114004878
2-[[2-(3-fluorophenoxy)acetyl]amino]-4-methoxybutanoic acid
CID 62478241
(2S)-3,3-dimethyl-2-[3-(3-methylphenoxy)propanoylamino]butanoic acid
CID 61143659
2-(3-fluorophenoxy)-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide
CID 114078973
N-[2-(dimethylamino)-1-phenylethyl]-2-(3-fluorophenoxy)acetamide
CID 47011877
N-tert-butyl-2-[[2-(3-fluorophenoxy)acetyl]amino]acetamide
CID 41276805
2-(3-fluorophenoxy)-N-phenylacetamide
CID 2709732

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-fluorophenoxy)acetyl]amino]-3,3-dimethylbutanoic acid?
The IUPAC name of 2-[[2-(3-fluorophenoxy)acetyl]amino]-3,3-dimethylbutanoic acid (CID 43467655) is 2-[[2-(3-fluorophenoxy)acetyl]amino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-[[2-(3-fluorophenoxy)acetyl]amino]-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-[[2-(3-fluorophenoxy)acetyl]amino]-3,3-dimethylbutanoic acid is CC(C)(C)C(NC(=O)COc1cccc(F)c1)C(=O)O.
What is the InChIKey of 2-[[2-(3-fluorophenoxy)acetyl]amino]-3,3-dimethylbutanoic acid?
The InChIKey is GZOBKBDSTGVAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO4/c1-14(2,3)12(13(18)19)16-11(17)8-20-10-6-4-5-9(15)7-10/h4-7,12H,8H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-[[2-(3-fluorophenoxy)acetyl]amino]-3,3-dimethylbutanoic acid?
2-[[2-(3-fluorophenoxy)acetyl]amino]-3,3-dimethylbutanoic acid has a molecular weight of 283.30 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-fluorophenoxy)acetyl]amino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 43467655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).