ethyl (2R)-3-(dimethylamino)-2-(4-methoxyphenyl)propanoate

C14H21NO3 — CID 76958549

IUPACethyl (2R)-3-(dimethylamino)-2-(4-methoxyphenyl)propanoate
SMILESCCOC(=O)[C@@H](CN(C)C)c1ccc(OC)cc1
InChIInChI=1S/C14H21NO3/c1-5-18-14(16)13(10-15(2)3)11-6-8-12(17-4)9-7-11/h6-9,13H,5,10H2,1-4H3/t13-/m0/s1
InChIKeyAYXZUXPFYCNRFQ-ZDUSSCGKSA-N
MW251.33 g/mol
LogP1.90
Rot. Bonds6

About ethyl (2R)-3-(dimethylamino)-2-(4-methoxyphenyl)propanoate

ethyl (2R)-3-(dimethylamino)-2-(4-methoxyphenyl)propanoate (PubChem CID 76958549) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is ethyl (2R)-3-(dimethylamino)-2-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl (2R)-3-(dimethylamino)-2-(4-methoxyphenyl)propanoate
PubChem CID76958549
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nameethyl (2R)-3-(dimethylamino)-2-(4-methoxyphenyl)propanoate
SMILESCCOC(=O)[C@@H](CN(C)C)c1ccc(OC)cc1
InChIInChI=1S/C14H21NO3/c1-5-18-14(16)13(10-15(2)3)11-6-8-12(17-4)9-7-11/h6-9,13H,5,10H2,1-4H3/t13-/m0/s1
InChIKeyAYXZUXPFYCNRFQ-ZDUSSCGKSA-N
XLogP1.90
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(dimethylamino)-2-(4-methoxyphenyl)propanoate;hydrochloride
CID 129318515
ethyl (2S)-3-acetyloxy-2-(4-methoxyphenyl)propanoate
CID 11346142
ethyl 2-(4-methoxyphenyl)-3-methylbutanoate
CID 62395214
tetraethyl (2R,3S)-2,3-bis(4-methoxyphenyl)butane-1,1,4,4-tetracarboxylate
CID 10602909
diethyl 2-methylpropanedioate;1,4-dimethoxybenzene
CID 174542706
ethyl (2R,3R)-2-amino-3-(4-methoxyphenyl)butanoate;ethyl (2S,3S)-2-amino-3-(4-methoxyphenyl)butanoate
CID 170905939
ethyl 2-(4-methoxyphenyl)-3-(3-methoxyphenyl)sulfanylpropanoate
CID 22123590
ethyl (3R)-3-amino-2-fluoro-3-(4-methoxyphenyl)propanoate;hydrochloride
CID 171239902
ethyl 2-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]acetate
CID 162356013
ethyl 2-(4-methoxyphenyl)-2-(propylamino)acetate
CID 60795637
ethyl 2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propanoate
CID 81370863
ethyl (2S)-2-(4-methoxyphenoxy)propanoate
CID 94606551

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-3-(dimethylamino)-2-(4-methoxyphenyl)propanoate?
The IUPAC name of ethyl (2R)-3-(dimethylamino)-2-(4-methoxyphenyl)propanoate (CID 76958549) is ethyl (2R)-3-(dimethylamino)-2-(4-methoxyphenyl)propanoate.
What is the SMILES notation for ethyl (2R)-3-(dimethylamino)-2-(4-methoxyphenyl)propanoate?
The canonical SMILES for ethyl (2R)-3-(dimethylamino)-2-(4-methoxyphenyl)propanoate is CCOC(=O)[C@@H](CN(C)C)c1ccc(OC)cc1.
What is the InChIKey of ethyl (2R)-3-(dimethylamino)-2-(4-methoxyphenyl)propanoate?
The InChIKey is AYXZUXPFYCNRFQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H21NO3/c1-5-18-14(16)13(10-15(2)3)11-6-8-12(17-4)9-7-11/h6-9,13H,5,10H2,1-4H3/t13-/m0/s1.
What are the key properties of ethyl (2R)-3-(dimethylamino)-2-(4-methoxyphenyl)propanoate?
ethyl (2R)-3-(dimethylamino)-2-(4-methoxyphenyl)propanoate has a molecular weight of 251.33 g/mol, XLogP of 1.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-3-(dimethylamino)-2-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 76958549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).