methyl 4-amino-5-(3,4-dimethoxyphenyl)-5-hydroxypentanoate

C14H21NO5 — CID 82348535

IUPACmethyl 4-amino-5-(3,4-dimethoxyphenyl)-5-hydroxypentanoate
SMILESCOC(=O)CCC(N)C(O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H21NO5/c1-18-11-6-4-9(8-12(11)19-2)14(17)10(15)5-7-13(16)20-3/h4,6,8,10,14,17H,5,7,15H2,1-3H3
InChIKeyNPBXLQTVJSYPBS-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.02
Rot. Bonds7

About methyl 4-amino-5-(3,4-dimethoxyphenyl)-5-hydroxypentanoate

methyl 4-amino-5-(3,4-dimethoxyphenyl)-5-hydroxypentanoate (PubChem CID 82348535) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is methyl 4-amino-5-(3,4-dimethoxyphenyl)-5-hydroxypentanoate.

Molecular Properties

Compound Namemethyl 4-amino-5-(3,4-dimethoxyphenyl)-5-hydroxypentanoate
PubChem CID82348535
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Namemethyl 4-amino-5-(3,4-dimethoxyphenyl)-5-hydroxypentanoate
SMILESCOC(=O)CCC(N)C(O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H21NO5/c1-18-11-6-4-9(8-12(11)19-2)14(17)10(15)5-7-13(16)20-3/h4,6,8,10,14,17H,5,7,15H2,1-3H3
InChIKeyNPBXLQTVJSYPBS-UHFFFAOYSA-N
XLogP1.02
TPSA91.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-amino-4-(3,4-dimethoxyphenyl)-4-hydroxybutanoate
CID 82348525
methyl 4-amino-5-hydroxy-5-(2-methoxy-4,5-dimethylphenyl)pentanoate
CID 82350031
bis(methyl (3S)-3-amino-3-(3,4-dimethoxyphenyl)propanoate);bis(methyl (3R)-3-amino-3-(3,4-dimethoxyphenyl)propanoate)
CID 157337826
methyl (3S)-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoate
CID 11042831
(2R,3S)-2-amino-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoic acid
CID 92975262
1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol
CID 11461770
methyl 4-amino-4-(3-ethyl-4-methoxyphenyl)butanoate
CID 116940192
4-amino-4-(3,4-dimethoxyphenyl)butanamide
CID 60862827
methyl 4-amino-4-(2-methoxy-4-propan-2-ylphenyl)butanoate
CID 116940203
ethyl 3-(3,4-dimethoxyphenyl)-2,3-dihydroxypropanoate
CID 74828202
methyl 3-amino-4-hydroxy-4-(4-methoxy-3-nitrophenyl)butanoate
CID 82348833
methyl 3-(4-aminopentanoylamino)-3-(3,4-dimethoxyphenyl)propanoate
CID 120559435

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-5-(3,4-dimethoxyphenyl)-5-hydroxypentanoate?
The IUPAC name of methyl 4-amino-5-(3,4-dimethoxyphenyl)-5-hydroxypentanoate (CID 82348535) is methyl 4-amino-5-(3,4-dimethoxyphenyl)-5-hydroxypentanoate.
What is the SMILES notation for methyl 4-amino-5-(3,4-dimethoxyphenyl)-5-hydroxypentanoate?
The canonical SMILES for methyl 4-amino-5-(3,4-dimethoxyphenyl)-5-hydroxypentanoate is COC(=O)CCC(N)C(O)c1ccc(OC)c(OC)c1.
What is the InChIKey of methyl 4-amino-5-(3,4-dimethoxyphenyl)-5-hydroxypentanoate?
The InChIKey is NPBXLQTVJSYPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5/c1-18-11-6-4-9(8-12(11)19-2)14(17)10(15)5-7-13(16)20-3/h4,6,8,10,14,17H,5,7,15H2,1-3H3.
What are the key properties of methyl 4-amino-5-(3,4-dimethoxyphenyl)-5-hydroxypentanoate?
methyl 4-amino-5-(3,4-dimethoxyphenyl)-5-hydroxypentanoate has a molecular weight of 283.32 g/mol, XLogP of 1.02, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-5-(3,4-dimethoxyphenyl)-5-hydroxypentanoate is sourced from PubChem (CID 82348535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).