(2R)-2-[2-(4-fluorophenoxy)propanoylamino]-3,3-dimethylbutanoic acid

C15H20FNO4 — CID 103926629

IUPAC(2R)-2-[2-(4-fluorophenoxy)propanoylamino]-3,3-dimethylbutanoic acid
SMILESCC(Oc1ccc(F)cc1)C(=O)N[C@@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C15H20FNO4/c1-9(21-11-7-5-10(16)6-8-11)13(18)17-12(14(19)20)15(2,3)4/h5-9,12H,1-4H3,(H,17,18)(H,19,20)/t9?,12-/m0/s1
InChIKeyPDIAUJLYICENTL-ACGXKRRESA-N
MW297.33 g/mol
LogP2.21
Rot. Bonds5

About (2R)-2-[2-(4-fluorophenoxy)propanoylamino]-3,3-dimethylbutanoic acid

(2R)-2-[2-(4-fluorophenoxy)propanoylamino]-3,3-dimethylbutanoic acid (PubChem CID 103926629) has the molecular formula C15H20FNO4 and a molecular weight of 297.33 g/mol. Its IUPAC name is (2R)-2-[2-(4-fluorophenoxy)propanoylamino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[2-(4-fluorophenoxy)propanoylamino]-3,3-dimethylbutanoic acid
PubChem CID103926629
Molecular FormulaC15H20FNO4
Molecular Weight297.33 g/mol
Exact Mass297.14
IUPAC Name(2R)-2-[2-(4-fluorophenoxy)propanoylamino]-3,3-dimethylbutanoic acid
SMILESCC(Oc1ccc(F)cc1)C(=O)N[C@@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C15H20FNO4/c1-9(21-11-7-5-10(16)6-8-11)13(18)17-12(14(19)20)15(2,3)4/h5-9,12H,1-4H3,(H,17,18)(H,19,20)/t9?,12-/m0/s1
InChIKeyPDIAUJLYICENTL-ACGXKRRESA-N
XLogP2.21
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[(2R)-2-(4-fluorophenoxy)propanoyl]amino]-3-methylbutanoic acid
CID 92921466
(2R)-2-[[(2R)-2-(4-fluorophenoxy)propanoyl]amino]-3-methylbutanoic acid
CID 92921464
(2S)-2-[2-(2-fluorophenoxy)propanoylamino]-3,3-dimethylbutanoic acid
CID 61144253
(2R)-2-(4-fluorophenoxy)-N-propan-2-ylpropanamide
CID 94335659
2-(4-fluorophenoxy)-N-pentan-3-ylpropanamide
CID 53282042
2-(4-fluorophenoxy)propanoic acid
CID 3872140
2-(4-fluorophenoxy)-N-(1-phenylethyl)propanamide
CID 21173393
2-[[2-(4-fluorophenyl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 43467961
(2R)-2-[[2-(4-fluorophenyl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 103926387
2-(4-tert-butylphenoxy)-N-(4-fluorophenyl)propanamide
CID 2938601
4-[2-(4-fluorophenoxy)propanoylamino]benzoic acid
CID 21367225
(2S)-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-2-(4-methoxyphenoxy)propanehydrazide
CID 42091432

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(4-fluorophenoxy)propanoylamino]-3,3-dimethylbutanoic acid?
The IUPAC name of (2R)-2-[2-(4-fluorophenoxy)propanoylamino]-3,3-dimethylbutanoic acid (CID 103926629) is (2R)-2-[2-(4-fluorophenoxy)propanoylamino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2R)-2-[2-(4-fluorophenoxy)propanoylamino]-3,3-dimethylbutanoic acid?
The canonical SMILES for (2R)-2-[2-(4-fluorophenoxy)propanoylamino]-3,3-dimethylbutanoic acid is CC(Oc1ccc(F)cc1)C(=O)N[C@@H](C(=O)O)C(C)(C)C.
What is the InChIKey of (2R)-2-[2-(4-fluorophenoxy)propanoylamino]-3,3-dimethylbutanoic acid?
The InChIKey is PDIAUJLYICENTL-ACGXKRRESA-N. The full InChI is InChI=1S/C15H20FNO4/c1-9(21-11-7-5-10(16)6-8-11)13(18)17-12(14(19)20)15(2,3)4/h5-9,12H,1-4H3,(H,17,18)(H,19,20)/t9?,12-/m0/s1.
What are the key properties of (2R)-2-[2-(4-fluorophenoxy)propanoylamino]-3,3-dimethylbutanoic acid?
(2R)-2-[2-(4-fluorophenoxy)propanoylamino]-3,3-dimethylbutanoic acid has a molecular weight of 297.33 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(4-fluorophenoxy)propanoylamino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 103926629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).