methyl 2-[[2-(2-fluorophenoxy)acetyl]amino]-4-methylpentanoate

C15H20FNO4 — CID 43404277

IUPACmethyl 2-[[2-(2-fluorophenoxy)acetyl]amino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)COc1ccccc1F
InChIInChI=1S/C15H20FNO4/c1-10(2)8-12(15(19)20-3)17-14(18)9-21-13-7-5-4-6-11(13)16/h4-7,10,12H,8-9H2,1-3H3,(H,17,18)
InChIKeyVBYGONLPAKZWEI-UHFFFAOYSA-N
MW297.33 g/mol
LogP1.91
Rot. Bonds7

About methyl 2-[[2-(2-fluorophenoxy)acetyl]amino]-4-methylpentanoate

methyl 2-[[2-(2-fluorophenoxy)acetyl]amino]-4-methylpentanoate (PubChem CID 43404277) has the molecular formula C15H20FNO4 and a molecular weight of 297.33 g/mol. Its IUPAC name is methyl 2-[[2-(2-fluorophenoxy)acetyl]amino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[[2-(2-fluorophenoxy)acetyl]amino]-4-methylpentanoate
PubChem CID43404277
Molecular FormulaC15H20FNO4
Molecular Weight297.33 g/mol
Exact Mass297.14
IUPAC Namemethyl 2-[[2-(2-fluorophenoxy)acetyl]amino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)COc1ccccc1F
InChIInChI=1S/C15H20FNO4/c1-10(2)8-12(15(19)20-3)17-14(18)9-21-13-7-5-4-6-11(13)16/h4-7,10,12H,8-9H2,1-3H3,(H,17,18)
InChIKeyVBYGONLPAKZWEI-UHFFFAOYSA-N
XLogP1.91
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-4-methyl-2-[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]pentanoate
CID 9018532
[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate
CID 55444360
2-[[2-(2-fluorophenoxy)acetyl]amino]-3-methoxypropanoic acid
CID 81077110
(2S)-2-[[2-(2-fluorophenoxy)acetyl]amino]-4-methoxy-4-oxobutanoic acid
CID 63307164
(2R)-2-[[2-(2,4-difluorophenoxy)acetyl]amino]-4-methylpentanoic acid
CID 78975765
2-(2-fluorophenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 7719194
2-[[2-(2-fluorophenoxy)acetyl]amino]butanedioic acid
CID 78910308
[2-[[(2R)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] benzoate
CID 9018914
2-(2-fluorophenoxy)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 16546160
(2S)-5-amino-2-[[2-(2-fluorophenoxy)acetyl]amino]-5-oxopentanoic acid
CID 61145013
(2R)-5-amino-2-[[2-(2-fluorophenoxy)acetyl]amino]-5-oxopentanoic acid
CID 107829798
2-(2-fluorophenoxy)-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide
CID 42563585

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2-fluorophenoxy)acetyl]amino]-4-methylpentanoate?
The IUPAC name of methyl 2-[[2-(2-fluorophenoxy)acetyl]amino]-4-methylpentanoate (CID 43404277) is methyl 2-[[2-(2-fluorophenoxy)acetyl]amino]-4-methylpentanoate.
What is the SMILES notation for methyl 2-[[2-(2-fluorophenoxy)acetyl]amino]-4-methylpentanoate?
The canonical SMILES for methyl 2-[[2-(2-fluorophenoxy)acetyl]amino]-4-methylpentanoate is COC(=O)C(CC(C)C)NC(=O)COc1ccccc1F.
What is the InChIKey of methyl 2-[[2-(2-fluorophenoxy)acetyl]amino]-4-methylpentanoate?
The InChIKey is VBYGONLPAKZWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO4/c1-10(2)8-12(15(19)20-3)17-14(18)9-21-13-7-5-4-6-11(13)16/h4-7,10,12H,8-9H2,1-3H3,(H,17,18).
What are the key properties of methyl 2-[[2-(2-fluorophenoxy)acetyl]amino]-4-methylpentanoate?
methyl 2-[[2-(2-fluorophenoxy)acetyl]amino]-4-methylpentanoate has a molecular weight of 297.33 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2-fluorophenoxy)acetyl]amino]-4-methylpentanoate is sourced from PubChem (CID 43404277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).