methyl 5-hydroxy-5-(4-methoxyphenyl)-4-(propylamino)pentanoate

C16H25NO4 — CID 82348400

IUPACmethyl 5-hydroxy-5-(4-methoxyphenyl)-4-(propylamino)pentanoate
SMILESCCCNC(CCC(=O)OC)C(O)c1ccc(OC)cc1
InChIInChI=1S/C16H25NO4/c1-4-11-17-14(9-10-15(18)21-3)16(19)12-5-7-13(20-2)8-6-12/h5-8,14,16-17,19H,4,9-11H2,1-3H3
InChIKeyGWXUODDXOWRIRB-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.05
Rot. Bonds9

About methyl 5-hydroxy-5-(4-methoxyphenyl)-4-(propylamino)pentanoate

methyl 5-hydroxy-5-(4-methoxyphenyl)-4-(propylamino)pentanoate (PubChem CID 82348400) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is methyl 5-hydroxy-5-(4-methoxyphenyl)-4-(propylamino)pentanoate.

Molecular Properties

Compound Namemethyl 5-hydroxy-5-(4-methoxyphenyl)-4-(propylamino)pentanoate
PubChem CID82348400
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Namemethyl 5-hydroxy-5-(4-methoxyphenyl)-4-(propylamino)pentanoate
SMILESCCCNC(CCC(=O)OC)C(O)c1ccc(OC)cc1
InChIInChI=1S/C16H25NO4/c1-4-11-17-14(9-10-15(18)21-3)16(19)12-5-7-13(20-2)8-6-12/h5-8,14,16-17,19H,4,9-11H2,1-3H3
InChIKeyGWXUODDXOWRIRB-UHFFFAOYSA-N
XLogP2.05
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(cyclopropylamino)-5-hydroxy-5-(4-methoxyphenyl)pentanoate
CID 82348405
methyl 4-(4-ethoxyphenyl)-4-hydroxy-3-(propylamino)butanoate
CID 82348433
methyl 5-hydroxy-4-(3-hydroxypropylamino)-5-(4-methylphenyl)pentanoate
CID 82347572
methyl 4-hydroxy-3-(3-hydroxypropylamino)-4-(4-methoxyphenyl)butanoate
CID 82348348
2-(hexylamino)-1-(4-methoxyphenyl)butan-1-ol
CID 82313925
methyl 5-(4-ethylphenyl)-5-hydroxy-4-(methylamino)pentanoate
CID 82347788
methyl 5-(4-chlorophenyl)-5-hydroxy-4-(methylamino)pentanoate
CID 82347944
ethyl 2-(4-methoxyphenyl)-2-(propylamino)acetate
CID 60795637
methyl 6-(4-methoxyphenyl)heptanoate
CID 174989555
methyl 4-(tert-butylamino)-5-hydroxy-5-(4-methylphenyl)pentanoate
CID 82347574
methyl 5-(3,4-dimethylphenyl)-5-hydroxy-4-(prop-2-enylamino)pentanoate
CID 82347684
4-hydroxy-4-(4-methoxyphenyl)-3-(3-methoxypropylamino)butanoic acid
CID 82348304

Frequently Asked Questions

What is the IUPAC name of methyl 5-hydroxy-5-(4-methoxyphenyl)-4-(propylamino)pentanoate?
The IUPAC name of methyl 5-hydroxy-5-(4-methoxyphenyl)-4-(propylamino)pentanoate (CID 82348400) is methyl 5-hydroxy-5-(4-methoxyphenyl)-4-(propylamino)pentanoate.
What is the SMILES notation for methyl 5-hydroxy-5-(4-methoxyphenyl)-4-(propylamino)pentanoate?
The canonical SMILES for methyl 5-hydroxy-5-(4-methoxyphenyl)-4-(propylamino)pentanoate is CCCNC(CCC(=O)OC)C(O)c1ccc(OC)cc1.
What is the InChIKey of methyl 5-hydroxy-5-(4-methoxyphenyl)-4-(propylamino)pentanoate?
The InChIKey is GWXUODDXOWRIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-4-11-17-14(9-10-15(18)21-3)16(19)12-5-7-13(20-2)8-6-12/h5-8,14,16-17,19H,4,9-11H2,1-3H3.
What are the key properties of methyl 5-hydroxy-5-(4-methoxyphenyl)-4-(propylamino)pentanoate?
methyl 5-hydroxy-5-(4-methoxyphenyl)-4-(propylamino)pentanoate has a molecular weight of 295.38 g/mol, XLogP of 2.05, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-hydroxy-5-(4-methoxyphenyl)-4-(propylamino)pentanoate is sourced from PubChem (CID 82348400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).