methyl (2S)-2-amino-2-(2-chloro-3,4-dimethoxyphenyl)acetate;hydrochloride

C11H15Cl2NO4 — CID 171202030

IUPACmethyl (2S)-2-amino-2-(2-chloro-3,4-dimethoxyphenyl)acetate;hydrochloride
SMILESCOC(=O)[C@@H](N)c1ccc(OC)c(OC)c1Cl.Cl
InChIInChI=1S/C11H14ClNO4.ClH/c1-15-7-5-4-6(8(12)10(7)16-2)9(13)11(14)17-3;/h4-5,9H,13H2,1-3H3;1H/t9-;/m0./s1
InChIKeyKDORNPFEAFGIPV-FVGYRXGTSA-N
MW296.15 g/mol
LogP1.95
Rot. Bonds4

About methyl (2S)-2-amino-2-(2-chloro-3,4-dimethoxyphenyl)acetate;hydrochloride

methyl (2S)-2-amino-2-(2-chloro-3,4-dimethoxyphenyl)acetate;hydrochloride (PubChem CID 171202030) has the molecular formula C11H15Cl2NO4 and a molecular weight of 296.15 g/mol. Its IUPAC name is methyl (2S)-2-amino-2-(2-chloro-3,4-dimethoxyphenyl)acetate;hydrochloride.

Molecular Properties

Compound Namemethyl (2S)-2-amino-2-(2-chloro-3,4-dimethoxyphenyl)acetate;hydrochloride
PubChem CID171202030
Molecular FormulaC11H15Cl2NO4
Molecular Weight296.15 g/mol
Exact Mass295.04
IUPAC Namemethyl (2S)-2-amino-2-(2-chloro-3,4-dimethoxyphenyl)acetate;hydrochloride
SMILESCOC(=O)[C@@H](N)c1ccc(OC)c(OC)c1Cl.Cl
InChIInChI=1S/C11H14ClNO4.ClH/c1-15-7-5-4-6(8(12)10(7)16-2)9(13)11(14)17-3;/h4-5,9H,13H2,1-3H3;1H/t9-;/m0./s1
InChIKeyKDORNPFEAFGIPV-FVGYRXGTSA-N
XLogP1.95
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.15
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-amino-2-(4-methoxynaphthalen-1-yl)acetate
CID 79016866
methyl (2S)-2-amino-2-(5-chloro-2-methoxyphenyl)acetate
CID 171215055
(3R)-3-amino-3-(2-chloro-3,4-dimethoxyphenyl)propanoic acid
CID 63632709
methyl 2-chloro-2-(2,3,4-trimethoxyphenyl)acetate
CID 62226416
(1S)-1-(2-chloro-3,4-dimethoxyphenyl)-2,2-difluoroethanamine
CID 171247035
(1R,2S)-1-amino-1-(2-chloro-3,4-dimethoxyphenyl)-3-methylpentan-2-ol;hydrochloride
CID 171261628
methyl 4-amino-3-(2-chloro-3,4-dimethoxyphenyl)butanoate
CID 66098501
methyl (2S)-2-amino-2-(4-fluoro-2-methoxyphenyl)acetate;hydrochloride
CID 171205347
(1S)-1-(2-chloro-3,4-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 171221538
(3R)-3-amino-3-(2-chloro-3,4-dimethoxyphenyl)-2,2-difluoropropan-1-ol
CID 171240329
(1R,2S)-2-amino-2-(2-chloro-3,4-dimethoxyphenyl)-1-cyclopropylethanol;hydrochloride
CID 171267302
methyl (2R)-2-amino-2-(3,4-dichloro-2-hydroxyphenyl)acetate
CID 131463179

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-2-(2-chloro-3,4-dimethoxyphenyl)acetate;hydrochloride?
The IUPAC name of methyl (2S)-2-amino-2-(2-chloro-3,4-dimethoxyphenyl)acetate;hydrochloride (CID 171202030) is methyl (2S)-2-amino-2-(2-chloro-3,4-dimethoxyphenyl)acetate;hydrochloride.
What is the SMILES notation for methyl (2S)-2-amino-2-(2-chloro-3,4-dimethoxyphenyl)acetate;hydrochloride?
The canonical SMILES for methyl (2S)-2-amino-2-(2-chloro-3,4-dimethoxyphenyl)acetate;hydrochloride is COC(=O)[C@@H](N)c1ccc(OC)c(OC)c1Cl.Cl.
What is the InChIKey of methyl (2S)-2-amino-2-(2-chloro-3,4-dimethoxyphenyl)acetate;hydrochloride?
The InChIKey is KDORNPFEAFGIPV-FVGYRXGTSA-N. The full InChI is InChI=1S/C11H14ClNO4.ClH/c1-15-7-5-4-6(8(12)10(7)16-2)9(13)11(14)17-3;/h4-5,9H,13H2,1-3H3;1H/t9-;/m0./s1.
What are the key properties of methyl (2S)-2-amino-2-(2-chloro-3,4-dimethoxyphenyl)acetate;hydrochloride?
methyl (2S)-2-amino-2-(2-chloro-3,4-dimethoxyphenyl)acetate;hydrochloride has a molecular weight of 296.15 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-2-(2-chloro-3,4-dimethoxyphenyl)acetate;hydrochloride is sourced from PubChem (CID 171202030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).