ethyl 2-amino-2-(2,6-dimethoxyphenyl)acetate;hydrochloride

C12H18ClNO4 — CID 121002575

IUPACethyl 2-amino-2-(2,6-dimethoxyphenyl)acetate;hydrochloride
SMILESCCOC(=O)C(N)c1c(OC)cccc1OC.Cl
InChIInChI=1S/C12H17NO4.ClH/c1-4-17-12(14)11(13)10-8(15-2)6-5-7-9(10)16-3;/h5-7,11H,4,13H2,1-3H3;1H
InChIKeyMKAPQYCYWZDGBW-UHFFFAOYSA-N
MW275.73 g/mol
LogP1.69
Rot. Bonds5

About ethyl 2-amino-2-(2,6-dimethoxyphenyl)acetate;hydrochloride

ethyl 2-amino-2-(2,6-dimethoxyphenyl)acetate;hydrochloride (PubChem CID 121002575) has the molecular formula C12H18ClNO4 and a molecular weight of 275.73 g/mol. Its IUPAC name is ethyl 2-amino-2-(2,6-dimethoxyphenyl)acetate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-amino-2-(2,6-dimethoxyphenyl)acetate;hydrochloride
PubChem CID121002575
Molecular FormulaC12H18ClNO4
Molecular Weight275.73 g/mol
Exact Mass275.09
IUPAC Nameethyl 2-amino-2-(2,6-dimethoxyphenyl)acetate;hydrochloride
SMILESCCOC(=O)C(N)c1c(OC)cccc1OC.Cl
InChIInChI=1S/C12H17NO4.ClH/c1-4-17-12(14)11(13)10-8(15-2)6-5-7-9(10)16-3;/h5-7,11H,4,13H2,1-3H3;1H
InChIKeyMKAPQYCYWZDGBW-UHFFFAOYSA-N
XLogP1.69
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.73
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (3R)-3-amino-3-(2,6-dimethoxyphenyl)-2-fluoropropanoate;hydrochloride
CID 171240018
ethyl (2S,4S)-4-amino-4-(2,6-dimethoxyphenyl)-2-methylbutanoate
CID 129395371
ethyl 4-amino-4-(2,6-dimethoxyphenyl)-2-methylbutanoate
CID 69085588
ethyl (3R)-3-amino-2-fluoro-3-(2-fluoro-6-methoxyphenyl)propanoate;hydrochloride
CID 171243248
ethyl (3R)-3-amino-2-fluoro-3-(2-hydroxy-6-methoxyphenyl)propanoate
CID 171245066
ethyl 2-amino-2-(2-methoxy-4,6-dimethylphenyl)acetate
CID 3904081
methyl (2S)-2-amino-2-(2-fluoro-6-methoxyphenyl)acetate;hydrochloride
CID 171210665
ethyl 2-[2-(difluoromethyl)-3-methoxyphenyl]-2-oxoacetate
CID 117398677
(1R)-1-(2,6-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 171201163
(2S)-2-amino-2-(2-iodo-6-methoxyphenyl)acetic acid
CID 131029267
ethyl (3S)-3-amino-3-(2-methoxyphenyl)propanoate;hydrochloride
CID 171220006
2-[(1S)-1-aminopropyl]-3-methoxyphenol;hydrochloride
CID 171235918

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-(2,6-dimethoxyphenyl)acetate;hydrochloride?
The IUPAC name of ethyl 2-amino-2-(2,6-dimethoxyphenyl)acetate;hydrochloride (CID 121002575) is ethyl 2-amino-2-(2,6-dimethoxyphenyl)acetate;hydrochloride.
What is the SMILES notation for ethyl 2-amino-2-(2,6-dimethoxyphenyl)acetate;hydrochloride?
The canonical SMILES for ethyl 2-amino-2-(2,6-dimethoxyphenyl)acetate;hydrochloride is CCOC(=O)C(N)c1c(OC)cccc1OC.Cl.
What is the InChIKey of ethyl 2-amino-2-(2,6-dimethoxyphenyl)acetate;hydrochloride?
The InChIKey is MKAPQYCYWZDGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4.ClH/c1-4-17-12(14)11(13)10-8(15-2)6-5-7-9(10)16-3;/h5-7,11H,4,13H2,1-3H3;1H.
What are the key properties of ethyl 2-amino-2-(2,6-dimethoxyphenyl)acetate;hydrochloride?
ethyl 2-amino-2-(2,6-dimethoxyphenyl)acetate;hydrochloride has a molecular weight of 275.73 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-(2,6-dimethoxyphenyl)acetate;hydrochloride is sourced from PubChem (CID 121002575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).