[(2R)-2-(2-fluoro-4-methylphenoxy)propyl] (2S)-2-amino-3-methylbutanoate

C15H22FNO3 — CID 90121372

IUPAC[(2R)-2-(2-fluoro-4-methylphenoxy)propyl] (2S)-2-amino-3-methylbutanoate
SMILESCc1ccc(O[C@H](C)COC(=O)[C@@H](N)C(C)C)c(F)c1
InChIInChI=1S/C15H22FNO3/c1-9(2)14(17)15(18)19-8-11(4)20-13-6-5-10(3)7-12(13)16/h5-7,9,11,14H,8,17H2,1-4H3/t11-,14+/m1/s1
InChIKeyRIGVVFJFEXBIQE-RISCZKNCSA-N
MW283.34 g/mol
LogP2.43
Rot. Bonds6

About [(2R)-2-(2-fluoro-4-methylphenoxy)propyl] (2S)-2-amino-3-methylbutanoate

[(2R)-2-(2-fluoro-4-methylphenoxy)propyl] (2S)-2-amino-3-methylbutanoate (PubChem CID 90121372) has the molecular formula C15H22FNO3 and a molecular weight of 283.34 g/mol. Its IUPAC name is [(2R)-2-(2-fluoro-4-methylphenoxy)propyl] (2S)-2-amino-3-methylbutanoate.

Molecular Properties

Compound Name[(2R)-2-(2-fluoro-4-methylphenoxy)propyl] (2S)-2-amino-3-methylbutanoate
PubChem CID90121372
Molecular FormulaC15H22FNO3
Molecular Weight283.34 g/mol
Exact Mass283.16
IUPAC Name[(2R)-2-(2-fluoro-4-methylphenoxy)propyl] (2S)-2-amino-3-methylbutanoate
SMILESCc1ccc(O[C@H](C)COC(=O)[C@@H](N)C(C)C)c(F)c1
InChIInChI=1S/C15H22FNO3/c1-9(2)14(17)15(18)19-8-11(4)20-13-6-5-10(3)7-12(13)16/h5-7,9,11,14H,8,17H2,1-4H3/t11-,14+/m1/s1
InChIKeyRIGVVFJFEXBIQE-RISCZKNCSA-N
XLogP2.43
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2-fluoro-4-methylphenoxy)propan-1-ol
CID 90121366
1-butan-2-yloxy-2-fluoro-4-methylbenzene
CID 59391433
1-(2-fluoro-4-methylphenoxy)ethanol
CID 134488224
2-(4-methylphenoxy)propyl 2,3-dimethylbutanoate
CID 169153466
1-[4-(1-ethoxypropan-2-yloxy)-3-fluorophenyl]ethanone
CID 103488725
4-(2-bromo-4-methylphenoxy)pentan-2-one
CID 64699329
2-butan-2-yloxy-5-methylbenzoic acid
CID 61379818
3-(2,4-dimethylphenoxy)butanamide
CID 82077472
2-fluoro-4-methyl-N-(2-methylpropoxy)benzamide
CID 115409670
(1R)-1-(2-butan-2-yloxy-5-methylphenyl)ethanamine
CID 63367361
4-(2,4-difluorophenoxy)pentanehydrazide
CID 63575446
2-fluoro-4-methyl-1-(1,2,2,2-tetrafluoroethoxy)benzene
CID 22886332

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(2-fluoro-4-methylphenoxy)propyl] (2S)-2-amino-3-methylbutanoate?
The IUPAC name of [(2R)-2-(2-fluoro-4-methylphenoxy)propyl] (2S)-2-amino-3-methylbutanoate (CID 90121372) is [(2R)-2-(2-fluoro-4-methylphenoxy)propyl] (2S)-2-amino-3-methylbutanoate.
What is the SMILES notation for [(2R)-2-(2-fluoro-4-methylphenoxy)propyl] (2S)-2-amino-3-methylbutanoate?
The canonical SMILES for [(2R)-2-(2-fluoro-4-methylphenoxy)propyl] (2S)-2-amino-3-methylbutanoate is Cc1ccc(O[C@H](C)COC(=O)[C@@H](N)C(C)C)c(F)c1.
What is the InChIKey of [(2R)-2-(2-fluoro-4-methylphenoxy)propyl] (2S)-2-amino-3-methylbutanoate?
The InChIKey is RIGVVFJFEXBIQE-RISCZKNCSA-N. The full InChI is InChI=1S/C15H22FNO3/c1-9(2)14(17)15(18)19-8-11(4)20-13-6-5-10(3)7-12(13)16/h5-7,9,11,14H,8,17H2,1-4H3/t11-,14+/m1/s1.
What are the key properties of [(2R)-2-(2-fluoro-4-methylphenoxy)propyl] (2S)-2-amino-3-methylbutanoate?
[(2R)-2-(2-fluoro-4-methylphenoxy)propyl] (2S)-2-amino-3-methylbutanoate has a molecular weight of 283.34 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(2-fluoro-4-methylphenoxy)propyl] (2S)-2-amino-3-methylbutanoate is sourced from PubChem (CID 90121372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).