methyl 5-hydroxy-5-(4-methoxy-2-methylphenyl)-4-(methylamino)pentanoate

C15H23NO4 — CID 82349885

IUPACmethyl 5-hydroxy-5-(4-methoxy-2-methylphenyl)-4-(methylamino)pentanoate
SMILESCNC(CCC(=O)OC)C(O)c1ccc(OC)cc1C
InChIInChI=1S/C15H23NO4/c1-10-9-11(19-3)5-6-12(10)15(18)13(16-2)7-8-14(17)20-4/h5-6,9,13,15-16,18H,7-8H2,1-4H3
InChIKeyVQOBVSBUONNWNG-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.58
Rot. Bonds7

About methyl 5-hydroxy-5-(4-methoxy-2-methylphenyl)-4-(methylamino)pentanoate

methyl 5-hydroxy-5-(4-methoxy-2-methylphenyl)-4-(methylamino)pentanoate (PubChem CID 82349885) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is methyl 5-hydroxy-5-(4-methoxy-2-methylphenyl)-4-(methylamino)pentanoate.

Molecular Properties

Compound Namemethyl 5-hydroxy-5-(4-methoxy-2-methylphenyl)-4-(methylamino)pentanoate
PubChem CID82349885
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Namemethyl 5-hydroxy-5-(4-methoxy-2-methylphenyl)-4-(methylamino)pentanoate
SMILESCNC(CCC(=O)OC)C(O)c1ccc(OC)cc1C
InChIInChI=1S/C15H23NO4/c1-10-9-11(19-3)5-6-12(10)15(18)13(16-2)7-8-14(17)20-4/h5-6,9,13,15-16,18H,7-8H2,1-4H3
InChIKeyVQOBVSBUONNWNG-UHFFFAOYSA-N
XLogP1.58
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dihydroxy-3-(4-methoxy-2-methylphenyl)propanoic acid
CID 170823897
methyl 4-(2,4-dimethylphenyl)-4-hydroxy-3-(methylamino)butanoate
CID 82349770
methyl 5-(4-fluoro-3-methylphenyl)-5-hydroxy-4-(methylamino)pentanoate
CID 82349042
methyl 5-(4-chlorophenyl)-5-hydroxy-4-(methylamino)pentanoate
CID 82347944
methyl 4-(2,4-dimethylphenyl)-4-(methylamino)butanoate
CID 116955511
ethyl 5-amino-5-(4-methoxy-2-methylphenyl)pentanoate
CID 82367122
4-hydroxy-4-(4-methoxy-2-methylphenyl)-3-(prop-2-enylamino)butanoic acid
CID 82349829
2,2-dichloro-1-(4-methoxy-2-methylphenyl)ethanol
CID 164892247
methyl 5-(4-ethylphenyl)-5-hydroxy-4-(methylamino)pentanoate
CID 82347788
S-[2,3-dihydroxy-3-(4-methoxy-2-methylphenyl)propyl] ethanethioate
CID 170821864
4-(2,5-dimethoxyphenyl)-4-hydroxy-3-(methylamino)butanoic acid
CID 82348737
1-(4-methoxy-2-methylphenyl)-2-methylsulfonylpropan-1-ol
CID 113422305

Frequently Asked Questions

What is the IUPAC name of methyl 5-hydroxy-5-(4-methoxy-2-methylphenyl)-4-(methylamino)pentanoate?
The IUPAC name of methyl 5-hydroxy-5-(4-methoxy-2-methylphenyl)-4-(methylamino)pentanoate (CID 82349885) is methyl 5-hydroxy-5-(4-methoxy-2-methylphenyl)-4-(methylamino)pentanoate.
What is the SMILES notation for methyl 5-hydroxy-5-(4-methoxy-2-methylphenyl)-4-(methylamino)pentanoate?
The canonical SMILES for methyl 5-hydroxy-5-(4-methoxy-2-methylphenyl)-4-(methylamino)pentanoate is CNC(CCC(=O)OC)C(O)c1ccc(OC)cc1C.
What is the InChIKey of methyl 5-hydroxy-5-(4-methoxy-2-methylphenyl)-4-(methylamino)pentanoate?
The InChIKey is VQOBVSBUONNWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-10-9-11(19-3)5-6-12(10)15(18)13(16-2)7-8-14(17)20-4/h5-6,9,13,15-16,18H,7-8H2,1-4H3.
What are the key properties of methyl 5-hydroxy-5-(4-methoxy-2-methylphenyl)-4-(methylamino)pentanoate?
methyl 5-hydroxy-5-(4-methoxy-2-methylphenyl)-4-(methylamino)pentanoate has a molecular weight of 281.35 g/mol, XLogP of 1.58, 7 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-methoxy-2-methylphenyl)-4-(methylamino)pentanoate is sourced from PubChem (CID 82349885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).