methyl 5-(4-fluoro-3-methylphenyl)-5-hydroxy-4-(methylamino)pentanoate

C14H20FNO3 — CID 82349042

IUPACmethyl 5-(4-fluoro-3-methylphenyl)-5-hydroxy-4-(methylamino)pentanoate
SMILESCNC(CCC(=O)OC)C(O)c1ccc(F)c(C)c1
InChIInChI=1S/C14H20FNO3/c1-9-8-10(4-5-11(9)15)14(18)12(16-2)6-7-13(17)19-3/h4-5,8,12,14,16,18H,6-7H2,1-3H3
InChIKeyZPENTUWTOXWJEM-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.71
Rot. Bonds6

About methyl 5-(4-fluoro-3-methylphenyl)-5-hydroxy-4-(methylamino)pentanoate

methyl 5-(4-fluoro-3-methylphenyl)-5-hydroxy-4-(methylamino)pentanoate (PubChem CID 82349042) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is methyl 5-(4-fluoro-3-methylphenyl)-5-hydroxy-4-(methylamino)pentanoate.

Molecular Properties

Compound Namemethyl 5-(4-fluoro-3-methylphenyl)-5-hydroxy-4-(methylamino)pentanoate
PubChem CID82349042
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Namemethyl 5-(4-fluoro-3-methylphenyl)-5-hydroxy-4-(methylamino)pentanoate
SMILESCNC(CCC(=O)OC)C(O)c1ccc(F)c(C)c1
InChIInChI=1S/C14H20FNO3/c1-9-8-10(4-5-11(9)15)14(18)12(16-2)6-7-13(17)19-3/h4-5,8,12,14,16,18H,6-7H2,1-3H3
InChIKeyZPENTUWTOXWJEM-UHFFFAOYSA-N
XLogP1.71
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(4-fluoro-3-methylphenyl)-4-hydroxybutanoate
CID 62121072
methyl 5-(4-chlorophenyl)-5-hydroxy-4-(methylamino)pentanoate
CID 82347944
methyl 5-(4-ethylphenyl)-5-hydroxy-4-(methylamino)pentanoate
CID 82347788
methyl 5-hydroxy-5-(4-methoxy-2-methylphenyl)-4-(methylamino)pentanoate
CID 82349885
methyl 5-(3,4-dimethylphenyl)-5-hydroxy-4-(prop-2-enylamino)pentanoate
CID 82347684
2-(ethylamino)-1-(4-fluoro-3-methylphenyl)butan-1-ol
CID 82315086
methyl 3-(4-fluoro-3-methylphenyl)sulfanylpropanoate
CID 117034036
methyl 4-(tert-butylamino)-5-hydroxy-5-(4-methylphenyl)pentanoate
CID 82347574
methyl 2-[(4-fluoro-3-methylphenyl)-(methylamino)methyl]-3-methylbutanoate
CID 116960466
methyl 4-(4-fluoro-3-methylphenyl)-3-(methylamino)-4-oxobutanoate
CID 82348988
4-(4-fluoro-3-methylphenyl)-4-hydroxy-3-(prop-2-enylamino)butanoic acid
CID 82348964
methyl 5-hydroxy-4-(3-hydroxypropylamino)-5-(4-methylphenyl)pentanoate
CID 82347572

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-fluoro-3-methylphenyl)-5-hydroxy-4-(methylamino)pentanoate?
The IUPAC name of methyl 5-(4-fluoro-3-methylphenyl)-5-hydroxy-4-(methylamino)pentanoate (CID 82349042) is methyl 5-(4-fluoro-3-methylphenyl)-5-hydroxy-4-(methylamino)pentanoate.
What is the SMILES notation for methyl 5-(4-fluoro-3-methylphenyl)-5-hydroxy-4-(methylamino)pentanoate?
The canonical SMILES for methyl 5-(4-fluoro-3-methylphenyl)-5-hydroxy-4-(methylamino)pentanoate is CNC(CCC(=O)OC)C(O)c1ccc(F)c(C)c1.
What is the InChIKey of methyl 5-(4-fluoro-3-methylphenyl)-5-hydroxy-4-(methylamino)pentanoate?
The InChIKey is ZPENTUWTOXWJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-9-8-10(4-5-11(9)15)14(18)12(16-2)6-7-13(17)19-3/h4-5,8,12,14,16,18H,6-7H2,1-3H3.
What are the key properties of methyl 5-(4-fluoro-3-methylphenyl)-5-hydroxy-4-(methylamino)pentanoate?
methyl 5-(4-fluoro-3-methylphenyl)-5-hydroxy-4-(methylamino)pentanoate has a molecular weight of 269.32 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-fluoro-3-methylphenyl)-5-hydroxy-4-(methylamino)pentanoate is sourced from PubChem (CID 82349042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).