methyl 2-amino-2-(2,5-dichlorophenyl)acetate;hydrochloride

C9H10Cl3NO2 — CID 162344729

IUPACmethyl 2-amino-2-(2,5-dichlorophenyl)acetate;hydrochloride
SMILESCOC(=O)C(N)c1cc(Cl)ccc1Cl.Cl
InChIInChI=1S/C9H9Cl2NO2.ClH/c1-14-9(13)8(12)6-4-5(10)2-3-7(6)11;/h2-4,8H,12H2,1H3;1H
InChIKeyZIEPCGBVXWIUMB-UHFFFAOYSA-N
MW270.54 g/mol
LogP2.59
Rot. Bonds2

About methyl 2-amino-2-(2,5-dichlorophenyl)acetate;hydrochloride

methyl 2-amino-2-(2,5-dichlorophenyl)acetate;hydrochloride (PubChem CID 162344729) has the molecular formula C9H10Cl3NO2 and a molecular weight of 270.54 g/mol. Its IUPAC name is methyl 2-amino-2-(2,5-dichlorophenyl)acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-amino-2-(2,5-dichlorophenyl)acetate;hydrochloride
PubChem CID162344729
Molecular FormulaC9H10Cl3NO2
Molecular Weight270.54 g/mol
Exact Mass268.98
IUPAC Namemethyl 2-amino-2-(2,5-dichlorophenyl)acetate;hydrochloride
SMILESCOC(=O)C(N)c1cc(Cl)ccc1Cl.Cl
InChIInChI=1S/C9H9Cl2NO2.ClH/c1-14-9(13)8(12)6-4-5(10)2-3-7(6)11;/h2-4,8H,12H2,1H3;1H
InChIKeyZIEPCGBVXWIUMB-UHFFFAOYSA-N
XLogP2.59
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.54
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-2-amino-2-(5-chloro-2-hydroxyphenyl)acetate;hydrochloride
CID 171217153
methyl 2-amino-2-(2-amino-5-chlorophenyl)acetate
CID 130061350
methyl (2S)-2-amino-2-(5-chloro-2-methoxyphenyl)acetate
CID 171215055
methyl 2-amino-2-(2-bromo-5-chlorophenyl)acetate
CID 66156456
(2R)-2-amino-2-(2,5-dichlorophenyl)acetic acid;hydrochloride
CID 162344521
methyl (2R)-2-amino-2-(2-chloro-5-nitrophenyl)acetate;hydrochloride
CID 171226356
methyl (2S)-2-amino-2-(2-bromo-4-chlorophenyl)acetate
CID 130055209
methyl (2R)-2-amino-2-(5-chloro-2-nitrophenyl)acetate
CID 171225993
methyl (2S)-2-amino-2-(2-chloro-5-nitrophenyl)acetate
CID 171206781
methyl (2R)-2-amino-2-(4-bromo-2-chlorophenyl)acetate;hydrochloride
CID 162344269
methyl (2S)-2-amino-2-(2,5-difluorophenyl)acetate
CID 51888842
methyl (2R)-2-amino-2-(3,4-dichlorophenyl)acetate;hydrochloride
CID 155903191

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-(2,5-dichlorophenyl)acetate;hydrochloride?
The IUPAC name of methyl 2-amino-2-(2,5-dichlorophenyl)acetate;hydrochloride (CID 162344729) is methyl 2-amino-2-(2,5-dichlorophenyl)acetate;hydrochloride.
What is the SMILES notation for methyl 2-amino-2-(2,5-dichlorophenyl)acetate;hydrochloride?
The canonical SMILES for methyl 2-amino-2-(2,5-dichlorophenyl)acetate;hydrochloride is COC(=O)C(N)c1cc(Cl)ccc1Cl.Cl.
What is the InChIKey of methyl 2-amino-2-(2,5-dichlorophenyl)acetate;hydrochloride?
The InChIKey is ZIEPCGBVXWIUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO2.ClH/c1-14-9(13)8(12)6-4-5(10)2-3-7(6)11;/h2-4,8H,12H2,1H3;1H.
What are the key properties of methyl 2-amino-2-(2,5-dichlorophenyl)acetate;hydrochloride?
methyl 2-amino-2-(2,5-dichlorophenyl)acetate;hydrochloride has a molecular weight of 270.54 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-(2,5-dichlorophenyl)acetate;hydrochloride is sourced from PubChem (CID 162344729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).