ethyl (3R)-3-amino-5-(3,4-dimethoxyphenyl)pentanoate

C15H23NO4 — CID 23533716

IUPACethyl (3R)-3-amino-5-(3,4-dimethoxyphenyl)pentanoate
SMILESCCOC(=O)C[C@H](N)CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H23NO4/c1-4-20-15(17)10-12(16)7-5-11-6-8-13(18-2)14(9-11)19-3/h6,8-9,12H,4-5,7,10,16H2,1-3H3/t12-/m1/s1
InChIKeyLHVKZSXQWQAZEQ-GFCCVEGCSA-N
MW281.35 g/mol
LogP1.92
Rot. Bonds8

About ethyl (3R)-3-amino-5-(3,4-dimethoxyphenyl)pentanoate

ethyl (3R)-3-amino-5-(3,4-dimethoxyphenyl)pentanoate (PubChem CID 23533716) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is ethyl (3R)-3-amino-5-(3,4-dimethoxyphenyl)pentanoate.

Molecular Properties

Compound Nameethyl (3R)-3-amino-5-(3,4-dimethoxyphenyl)pentanoate
PubChem CID23533716
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Nameethyl (3R)-3-amino-5-(3,4-dimethoxyphenyl)pentanoate
SMILESCCOC(=O)C[C@H](N)CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H23NO4/c1-4-20-15(17)10-12(16)7-5-11-6-8-13(18-2)14(9-11)19-3/h6,8-9,12H,4-5,7,10,16H2,1-3H3/t12-/m1/s1
InChIKeyLHVKZSXQWQAZEQ-GFCCVEGCSA-N
XLogP1.92
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-(3,4-dimethoxyphenyl)pentanoate
CID 15833333
ethyl 3-chloro-4-(3,4-dimethoxyphenyl)butanoate
CID 82352130
ethyl 4-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)butanoate
CID 139755325
ethyl 2-[4-(2-aminobutyl)-2-methoxyphenoxy]acetate
CID 60906795
2-amino-5-(3,4-dimethoxyphenyl)pentanoic acid
CID 115005508
1-(3,4-dimethoxyphenyl)-4,4-dimethylpentan-3-amine
CID 64503243
4-(3,3-diethoxypropyl)-1,2-dimethoxybenzene
CID 16637893
(2R)-2-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]butanediamide
CID 162388053
(3S)-3-amino-5-(3-fluoro-4-methoxyphenyl)-N-hydroxypentanamide
CID 139978521
methyl 4-(3,4-dimethoxyphenyl)-2-nitrosobutanoate
CID 54372305
methyl 3-(3,4-dimethoxyphenyl)-2-[(3-ethoxy-3-oxopropanoyl)amino]propanoate
CID 68616290
N-[5-(3-aminopentyl)-2-methoxyphenyl]acetamide
CID 112513422

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-amino-5-(3,4-dimethoxyphenyl)pentanoate?
The IUPAC name of ethyl (3R)-3-amino-5-(3,4-dimethoxyphenyl)pentanoate (CID 23533716) is ethyl (3R)-3-amino-5-(3,4-dimethoxyphenyl)pentanoate.
What is the SMILES notation for ethyl (3R)-3-amino-5-(3,4-dimethoxyphenyl)pentanoate?
The canonical SMILES for ethyl (3R)-3-amino-5-(3,4-dimethoxyphenyl)pentanoate is CCOC(=O)C[C@H](N)CCc1ccc(OC)c(OC)c1.
What is the InChIKey of ethyl (3R)-3-amino-5-(3,4-dimethoxyphenyl)pentanoate?
The InChIKey is LHVKZSXQWQAZEQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23NO4/c1-4-20-15(17)10-12(16)7-5-11-6-8-13(18-2)14(9-11)19-3/h6,8-9,12H,4-5,7,10,16H2,1-3H3/t12-/m1/s1.
What are the key properties of ethyl (3R)-3-amino-5-(3,4-dimethoxyphenyl)pentanoate?
ethyl (3R)-3-amino-5-(3,4-dimethoxyphenyl)pentanoate has a molecular weight of 281.35 g/mol, XLogP of 1.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-amino-5-(3,4-dimethoxyphenyl)pentanoate is sourced from PubChem (CID 23533716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).