methyl 4-amino-5-hydroxy-5-(2-methoxy-4,5-dimethylphenyl)pentanoate

C15H23NO4 — CID 82350031

IUPACmethyl 4-amino-5-hydroxy-5-(2-methoxy-4,5-dimethylphenyl)pentanoate
SMILESCOC(=O)CCC(N)C(O)c1cc(C)c(C)cc1OC
InChIInChI=1S/C15H23NO4/c1-9-7-11(13(19-3)8-10(9)2)15(18)12(16)5-6-14(17)20-4/h7-8,12,15,18H,5-6,16H2,1-4H3
InChIKeyKIIIQBAUXYKGTN-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.63
Rot. Bonds6

About methyl 4-amino-5-hydroxy-5-(2-methoxy-4,5-dimethylphenyl)pentanoate

methyl 4-amino-5-hydroxy-5-(2-methoxy-4,5-dimethylphenyl)pentanoate (PubChem CID 82350031) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is methyl 4-amino-5-hydroxy-5-(2-methoxy-4,5-dimethylphenyl)pentanoate.

Molecular Properties

Compound Namemethyl 4-amino-5-hydroxy-5-(2-methoxy-4,5-dimethylphenyl)pentanoate
PubChem CID82350031
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Namemethyl 4-amino-5-hydroxy-5-(2-methoxy-4,5-dimethylphenyl)pentanoate
SMILESCOC(=O)CCC(N)C(O)c1cc(C)c(C)cc1OC
InChIInChI=1S/C15H23NO4/c1-9-7-11(13(19-3)8-10(9)2)15(18)12(16)5-6-14(17)20-4/h7-8,12,15,18H,5-6,16H2,1-4H3
InChIKeyKIIIQBAUXYKGTN-UHFFFAOYSA-N
XLogP1.63
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-4-hydroxy-4-(2-methoxy-4,5-dimethylphenyl)butanoic acid
CID 82350007
methyl 4-amino-5-(3,4-dimethoxyphenyl)-5-hydroxypentanoate
CID 82348535
4-amino-5-hydroxy-5-(2-methoxy-5-methylphenyl)pentanoic acid
CID 82348234
2,4-diamino-1-(4-methoxy-2,5-dimethylphenyl)butan-1-ol
CID 83927786
2-amino-1-(2-methoxy-4,5-dimethylphenyl)-3-methylbutan-1-ol
CID 82291991
methyl 5-amino-5-(5-bromo-2-methoxy-4-methylphenyl)pentanoate
CID 65434125
methyl 3-(2-methoxy-4,5-dimethylphenyl)-4-methylpentanoate
CID 112509425
methyl 4-(4-methoxy-2,3,6-trimethylphenyl)-4-oxobutanoate
CID 82552645
2-amino-2-(2-methoxy-4,5-dimethylphenyl)-N'-methylacetohydrazide
CID 116849362
methyl 4-hydroxy-4-(2-methoxy-5-methylphenyl)butanoate
CID 82347001
methyl 4-amino-4-(2-methoxy-4-propan-2-ylphenyl)butanoate
CID 116940203
methyl 4-(4,5-dimethoxy-2-methylphenyl)-4-oxobutanoate
CID 116919180

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-5-hydroxy-5-(2-methoxy-4,5-dimethylphenyl)pentanoate?
The IUPAC name of methyl 4-amino-5-hydroxy-5-(2-methoxy-4,5-dimethylphenyl)pentanoate (CID 82350031) is methyl 4-amino-5-hydroxy-5-(2-methoxy-4,5-dimethylphenyl)pentanoate.
What is the SMILES notation for methyl 4-amino-5-hydroxy-5-(2-methoxy-4,5-dimethylphenyl)pentanoate?
The canonical SMILES for methyl 4-amino-5-hydroxy-5-(2-methoxy-4,5-dimethylphenyl)pentanoate is COC(=O)CCC(N)C(O)c1cc(C)c(C)cc1OC.
What is the InChIKey of methyl 4-amino-5-hydroxy-5-(2-methoxy-4,5-dimethylphenyl)pentanoate?
The InChIKey is KIIIQBAUXYKGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-9-7-11(13(19-3)8-10(9)2)15(18)12(16)5-6-14(17)20-4/h7-8,12,15,18H,5-6,16H2,1-4H3.
What are the key properties of methyl 4-amino-5-hydroxy-5-(2-methoxy-4,5-dimethylphenyl)pentanoate?
methyl 4-amino-5-hydroxy-5-(2-methoxy-4,5-dimethylphenyl)pentanoate has a molecular weight of 281.35 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-5-hydroxy-5-(2-methoxy-4,5-dimethylphenyl)pentanoate is sourced from PubChem (CID 82350031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).